JAZL/ChemGist-CHON huggingface dataset:
Compound: DIPROPYLAMINE
SMILES: N(CCC)CCC
InChIKey: WEHWNAOGRSTTBQ-UHFFFAOYSA-N
Synonyms: DIPROPYLAMINE, 142-84-7, Di-n-propylamine, n-Dipropylamine, 1-Propanamine, N-propyl-, N-Propyl-1-propanamine, RCRA waste number U110, CCRIS 4805, HSDB 2644, EINECS 205-565-9, N,N-Dipropylamine, UN2383, BRN 0505974, 60P318IIRY, DTXSID2025185, AI3-24037, DIPROPYLAMINE [HSDB], N-DIPROPYLAMINE [MI], DTXCID105185, EC 205-565-9, NDipropylamine, NPropyl1propanamine, DIPROPANAMINE, 1Propanamine, Npropyl, RefChem:589085, 205-565-9, N-propylpropan-1-amine, MFCD00009362, DIPROPYL-AMINE, dipropyl amine, RCRA waste no. U110, UNII-60P318IIRY, di-propylamine, di(n-propyl)amine, di-n-propyl amine, N-propyl propylamine, N-propyl-propylamine, Dipropylamine, 99%, N,N-Dipropylamine #, N,N-di-n-propylamine, propane, 1-propylamino-, SCHEMBL15445, SCHEMBL35325, SCHEMBL96824, SCHEMBL217777, (n-C3H7)2NH, SCHEMBL3417600, SCHEMBL3483659, SCHEMBL3483661, SCHEMBL4684540, SCHEMBL9225825, SCHEMBL9315823, CHEMBL3185961, SCHEMBL10843079, SCHEMBL20594365, STR03559, Tox21_202085, BBL027756, SBB059762, STL194269, AKOS000118843, UN 2383, NCGC00249163-01, NCGC00259634-01, CAS-142-84-7, D0930, NS00001033, ST45255414, Dipropylamine [UN2383]  [Flammable liquid], EN300-19590, F520383, Q410621, F2190-0303, InChI=1/C6H15N/c1-3-5-7-6-4-2/h7H,3-6H2,1-2H
Theoretical properties:
molecular_formula: C6H15N
molecular_weight: 101.19 g/mol
exact_mass: 101.120449483 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 1
rotatable_bond_count: 4
heavy_atom_count: 7
topological_polar_surface_area: 12 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Colorless liquid
color: Colorless liquid
odor: Ammonia odor
boiling_point: 228.9 °F at 760 mmHg (NTP, 1992)
melting_point: -39.3 °F (NTP, 1992)
density: 0.738 at 68 °F (USCG, 1999) - Less dense than water; will float
solubility: Soluble (>=10 mg/ml) (NTP, 1992)
flash_point: 45 °F (USCG, 1999)
vapor_pressure: 20.1 [mmHg]
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Dipropylamine is an organic compound with the formula (CH3CH2CH2)2NH.  It is classified as a secondary amine.  It is a colorless liquid with a "fishy" odor.  It is a precursor to various herbicides such as trifluralin, oryzalin, and vernolate.
Compound: Q10861003
SMILES: O=C1C=C2C(C3C(O)CC4(C(O)(COC(=O)CCC)CCC4C3CC2)C)(C)CC1
InChIKey: QVZHJTWKTBJCQR-UHFFFAOYSA-N
Synonyms: Q10861003
Theoretical properties:
molecular_formula: C24H36O5
molecular_weight: 404.5 g/mol
exact_mass: 404.25627424 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 5
rotatable_bond_count: 5
heavy_atom_count: 29
topological_polar_surface_area: 83.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: Aldol
SMILES: O=CCC(O)C
InChIKey: HSJKGGMUJITCBW-UHFFFAOYSA-N
Synonyms: Aldol, 3-Hydroxybutanal, 3-Hydroxybutyraldehyde, Butanal, 3-hydroxy-, Oxybutanal, 107-89-1, 3-Butanolal, ACETALDOL, beta-Hydroxybutyraldehyde, Oxybutyric aldehyde, Butyraldehyde, 3-hydroxy-, NSC-7610, 8C6G962B53, DTXSID2050407, RefChem:551525, DTXCID8029490, 203-530-2, .beta.-Hydroxybutyraldehyde, NSC 7610, HSDB 2663, EINECS 203-530-2, UN2839, BRN 1735845, Aldol-Reaktion, AI3-18874, UNII-8C6G962B53, Aldol, AldrichCPR, ACETALDOL [HSDB], ALDOL [MI], SCHEMBL9026, WLN: VH1YQ1, SCHEMBL61261, SCHEMBL5460736, SCHEMBL8830908, SCHEMBL16014579, SCHEMBL27503826, Aldol [UN2839]  [Poison], NSC7610, AKOS006228052, UN 2839, DB-008312, NS00003106, EN300-7524303, Q223087
Theoretical properties:
molecular_formula: C4H8O2
molecular_weight: 88.11 g/mol
exact_mass: 88.052429494 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 6
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Clear, white-to-yellow syrupy liquid
color: Clear, white-to-yellow syrupy liquid
boiling_point: Decomposes at about 83 °C
density: 1.103 g/cu cm at 20 °C
solubility: Miscible with water /1.00X10+6 mg/L/
flash_point: 150 °F (NFPA, 2010)
vapor_pressure: 21.0 [mmHg]
Descriptions:
wikipedia: In organic chemistry, an aldol is a structure consisting of a hydroxy group (-OH) two carbons away from either an aldehyde or a ketone. The name combines the suffix 'ol' from the alcohol and the prefix depending on the carbonyl group, either 'ald' for an aldehyde, or 'ket' for a ketone, in which case it referred to as a 'ketol'. An aldol may also use the term β-hydroxy aldehyde (or β-hydroxy ketone for a ketol). The term "aldol" may refer to 3-hydroxybutanal.
Aldols are the product of a carbon-carbon bond-formation reaction, giving them wide applicability as a precursor for a variety of other compounds.
Compound: CGP7930
SMILES: Oc1c(cc(CC(CO)(C)C)cc1C(C)(C)C)C(C)(C)C
InChIKey: XLWJPQQFJNGUPA-UHFFFAOYSA-N
Synonyms: CGP7930, CGP 7930, CGP-7930, 2,6-di-tert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol, 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol, ZAM4WWA5Y4, RefChem:918322, 57717-80-3, 28-99-9, CHEMBL1256697, 3-(3',5'-Di-tert-butyl-4'-hydroxy)phenyl-2,2-dimethylpropanol, 3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXY-B,B-DIMETHYL-BENZENEPROPANOL, SR-01000075738, XLWJPQQFJNGUPA-UHFFFAOYSA-N, Tocris-1513, UNII-ZAM4WWA5Y4, Lopac-C-0862, Lopac0_000169, MLS002153413, GTPL1079, orb1704622, SCHEMBL2371710, CHEBI:93152, DTXSID90407620, GLXC-07065, HMS2230F05, HMS3260B19, HMS3268A09, HMS3370F06, HMS3412H05, HMS3676H05, HCA71780, Tox21_500169, BDBM50108996, EX-A14464, MFCD04040028, AKOS024456641, CCG-204264, LP00169, SDCCGSBI-0050157.P002, NCGC00015210-01, NCGC00015210-02, NCGC00015210-03, NCGC00015210-04, NCGC00015210-05, NCGC00015210-07, NCGC00025198-01, NCGC00025198-02, NCGC00025198-03, NCGC00260854-01, MS-32612, SMR001230789, CGP-7930, >98% (HPLC), solid, DB-313201, HY-103502, CS-0028004, EU-0100169, C 0862, Q5010984, SR-01000075738-1, SR-01000075738-3, BRD-K65786282-001-02-6, BRD-K65786282-001-07-5, 2,2-di-methyl-3-(3,5-di-t-butyl-4-hydroxyphenyl)propanol, 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethyl-propyl)phenol, 3-(3,5-di-t-butyl-4-hydroxyphenyl)-2,2-dimethylpropanol, 2,6-Bis(tert-butyl)-4-(3-hydroxy-2,2-dimethylpropyl)phenol, 3,5-bis(1,1-Dimethylethyl)-4-hydroxy-beta,beta-dimethyl-benzenepropanol
Theoretical properties:
molecular_formula: C19H32O2
molecular_weight: 292.5 g/mol
exact_mass: 292.240230259 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 21
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 2,6-ditert-butyl-4-(3-hydroxy-2,2-dimethylpropyl)phenol is an alkylbenzene.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: CGP-7930 was the first positive allosteric modulator of GABAB receptors described in literature. CGP7930 is also a GABAA receptor positive allosteric modulator and a blocker of Potassium channels. 
CGP7930 was developed in Novartis and has been used extensively for scientific research. It has anxiolytic effects in animal studies, and has a synergistic effect with GABAB agonists such as baclofen and GHB, as well as reducing self-administration of alcoholic drinks and cocaine.
CNS Review:
Compound: Q4391206
SMILES: O=c1c(C(=O)O)cc(=O)c2=c1c-3c(O)ccc(c3c2C(=O)O)=O
InChIKey: VQUMVNJFHSBVDL-UHFFFAOYSA-N
Synonyms: Q4391206
Theoretical properties:
molecular_formula: C15H6O8
molecular_weight: 314.20 g/mol
exact_mass: 314.00626715 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 8
rotatable_bond_count: 2
heavy_atom_count: 23
topological_polar_surface_area: 146 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
Compound: 162042-44-6
SMILES: O=C1OCc2ccccc2N1C3CCN(C(=O)c4c(OC)cc(OC5CCN(C(=O)C)CC5)cc4)CC3
InChIKey: WDERJSQJYIJOPD-UHFFFAOYSA-N
Synonyms: 162042-44-6, L-371,257, L-371257, 1-[1-[4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one, L 371257, 98KJ8P9APP, L371257, 1-(1-(4-(1-acetylpiperidin-4-yl)oxy-2-methoxybenzoyl)piperidin-4-yl)-4H-3,1-benzoxazin-2-one, RefChem:151629, CHEMBL24781, 2H-3,1-Benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-, 1-[1-[4-[(1-Acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazin-2-one, NCGC00159562-01, GTPL2252, orb1707118, SCHEMBL4954712, SCHEMBL29374580, SCHEMBL31060206, DTXSID30426072, C28H33N3O6, EX-A6940, MGA04244, BDBM50029649, MFCD00944944, AKOS024457081, DA-64823, HY-15010, MS-29432, CS-0003695, G12918, L014161, L371,257, Q6456065, 1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one, 1-(1-(4-(1-Ethanoylpiperidin-4-yl)oxy-2-methoxy-phenyl)carbonylpiperidin-4-yl)-4H-3,1-benzoxazin-2-one, 1-(1-{4-[(1-Acetylpiperidin-4-yl)oxy]-2-methoxybenzoyl}piperidin-4-yl)-1,4-dihydro-2H-3,1-benzoxazin-2-one, 1-[1-[4-[(1-acetyl-4-piperidyl)oxy]-2-methoxy-benzoyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one, 1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one, Piperidine, 1-[4-[(1-acetyl-4-piperidinyl)oxy]-2-methoxybenzoyl]-4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)-
Theoretical properties:
molecular_formula: C28H33N3O6
molecular_weight: 507.6 g/mol
exact_mass: 507.23693578 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 5
heavy_atom_count: 37
topological_polar_surface_area: 88.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: The oxytocin receptor, also known as OXTR, is a protein which functions as receptor for the hormone and neurotransmitter oxytocin. In humans, the oxytocin receptor is encoded by the OXTR gene which has been localized to human chromosome 3p25.
Compound: BSPP
SMILES: Oc1c(cc(CC2(CCCC2)CO)cc1C(C)(C)C)C(C)(C)C
InChIKey: CTFKOMUXSHQLLL-UHFFFAOYSA-N
Synonyms: BSPP, AN78SQ2WKC, UNII-AN78SQ2WKC, 938174-18-6, 2,6-di-tert-butyl-4-{[1-(hydroxymethyl)cyclopentyl]methyl}phenol, 2,6-Di-tert-butyl-4-((1-(hydroxymethyl)cyclopentyl)methyl)phenol, 2,6-Bis(1,1-dimethylethyl)-4-((1-(hydroxymethyl)cyclopentyl)methyl)phenol, Phenol, 2,6-bis(1,1-dimethylethyl)-4-((1-(hydroxymethyl)cyclopentyl)methyl)-, 2,6-Bis(1,1-dimethylethyl)-4-[[1-(hydroxymethyl)cyclopentyl]methyl]phenol, Phenol, 2,6-bis(1,1-dimethylethyl)-4-[[1-(hydroxymethyl)cyclopentyl]methyl]-, SCHEMBL29382779, DTXSID001028427, Q4836620, 4-{[1-(Hydroxymethyl)cyclopentyl]methyl}-2,6-bis(2-methyl-2-propanyl)phenol
Theoretical properties:
molecular_formula: C21H34O2
molecular_weight: 318.5 g/mol
exact_mass: 318.255880323 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 5
heavy_atom_count: 23
topological_polar_surface_area: 40.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
wikipedia: BSPP may refer to:

BSPP (drug)
British Society for Plant Pathology
Burma Socialist Programme Party
Paris Fire Brigade (French: Brigade des sapeurs-pompiers de Paris)
British standard parallel pipe thread, see British standard pipe thread
Compound: Tuberculostearic acid
SMILES: O=C(O)CCCCCCCCC(CCCCCCCC)C
InChIKey: BEOUGZFCUMNGOU-UHFFFAOYSA-N
Synonyms: Tuberculostearic acid, 10-Methyloctadecanoic acid, 542-47-2, 10-Methylstearic acid, Octadecanoic acid, 10-methyl-, C2LR962W58, NSC-625426, CHEBI:68565, DTXSID50862155, RefChem:933622, DTXCID50810959, 10-methyl-octadecanoic acid, 10-methyl-stearic acid, NSC625426, 10-methyl-octadecanoate, SCHEMBL456683, UNII-C2LR962W58, LMFA01020396, HY-W708177, (+/-)-10-METHYLOCTADECANOIC ACID, NS00120358, Q2823320
Theoretical properties:
molecular_formula: C19H38O2
molecular_weight: 298.5 g/mol
exact_mass: 298.287180451 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 16
heavy_atom_count: 21
topological_polar_surface_area: 37.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Tuberculostearic acid is a methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10. It is a long-chain fatty acid and a methyl-branched fatty acid. It is functionally related to an octadecanoic acid.
chebi: A methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10.
wikipedia: Tuberculostearic acid is a saturated fatty acid produced by Actinomycetales bacteria.
The name 'Tuberculostearic acid' was coined because it was first isolated in 1927 from the bacteria Mycobacterium tuberculosis.
Compound: 3-Methoxy-4-methylamphetamine
SMILES: O(c1c(ccc(c1)CC(N)C)C)C
InChIKey: XDXMRSBXBOXSQW-UHFFFAOYSA-N
Synonyms: 3-Methoxy-4-methylamphetamine, BHS67KQE5Q, RefChem:911474, 124206-66-2, 3-MMA, 1-(3-methoxy-4-methylphenyl)propan-2-amine, 1-Mmpap, 24160-29-0, 87179-33-7, UNII-BHS67KQE5Q, 1-(3-Methoxy-4-methylphenyl)-2-aminopropane, Propane, 1-(3-Methoxy-4-methylphenyl)-2-amino-, Formoterol Impurity 48, CHEMBL47696, SCHEMBL2559132, SCHEMBL30797834, XDXMRSBXBOXSQW-UHFFFAOYSA-N, DTXSID401007386, P-METHYL-M-METHOXYAMPHETAMINE, AKOS005216246, DB-290691, 1-(3-Methoxy-4-methylphenyl)-2-propanamine, 1-(3-methoxy-4-methyl-phenyl)propan-2-amine, 1-(3-methoxy-4-methyl-phenyl)-2-aminopropane, EN300-713911, Q2813117, 3-METHOXY-.ALPHA.,4-DIMETHYLBENZENEETHANAMINE, PHENETHYLAMINE, 3-METHOXY-.ALPHA.,4-DIMETHYL-, BENZENEETHANAMINE, 3-METHOXY-.ALPHA.,4-DIMETHYL-
Theoretical properties:
molecular_formula: C11H17NO
molecular_weight: 179.26 g/mol
exact_mass: 179.131014166 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 3
heavy_atom_count: 13
topological_polar_surface_area: 35.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 3-Methoxy-4-methylamphetamine (MMA) is an entactogen and psychedelic drug of the phenethylamine and amphetamine classes. It was first synthesized in 1970 and was encountered as a street drug in Italy in the same decade. MMA was largely forgotten until being reassayed by David E. Nichols as a non-neurotoxic MDMA analogue in 1991, and has subsequently been sold as a designer drug on the internet since the late 2000s.
In animal studies, MMA fully substitutes for MDMA and MBDB, partially substitutes for LSD, and does not substitute for amphetamine in rodent drug discrimination tests. However, in another study, MMA fully substituted for dextroamphetamine in such tests. Additionally, it has been shown to be a potent and highly selective serotonin releasing agent (SSRA) and does not produce serotonergic neurotoxicity in rodents. These data appear to confer a profile of MMA as a selective serotonin releasing agent (SSRA) and serotonin 5-HT2A receptor agonist.
In humans, MMA has been reported to be hallucinogenic, "quite dypshoric", and long-lasting. The active doses have been reported to be 40 to 60 mg. Capsules containing 140 mg have been encountered as a designer drug in Italy in the 1980s.
The 2-aminoindane analogue of MMA is 5-methoxy-6-methyl-2-aminoindane (MMAI).
Compound: Miridesap
SMILES: O=C(O)[C@@H]1N(C(=O)CCCCC(=O)N2[C@@H](C(=O)O)CCC2)CCC1
InChIKey: HZLAWYIBLZNRFZ-VXGBXAGGSA-N
Synonyms: Miridesap, cphpc, 224624-80-0, Ro 63-8695, 1,1'-hexanedioyldi-D-proline, WO97N24A47, RO-638695, DTXSID00176996, (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl]pyrrolidine-2-carboxylic acid, (2R)-1-{6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxohexanoyl}pyrrolidine-2-carboxylic acid, miridesapum, (2R)-1-(6-((2R)-2-carboxypyrrolidin-1-yl)-6-oxohexanoyl)pyrrolidine-2-carboxylic acid, RefChem:818906, DTXCID6099487, GSK 2315698, Miridesap [USAN], GSK2315698, MFCD09970762, (2R,2'R)-1,1'-Adipoylbis(pyrrolidine-2-carboxylic acid), 1,1'-(1,6-Dioxo-1,6-hexanediyl)bis-D-proline, GSK-2315698, D-Proline, 1,1'-(1,6-dioxo-1,6-hexanediyl)bis-, CPOHPC acid, (2r)-1-[6-[(2r)-2-Carboxypyrrolidin-1-Yl]-6-Oxidanylidene-Hexanoyl]pyrrolidine-2-Carboxylic Acid, (2'R)-adipoyldi-D-proline, Ro-63-8695, UNII-WO97N24A47, 4avt, CPHPC(Miridesap), GHE, CPHPC(Miridesap)?, MIRIDESAP [INN], Miridesap (USAN/INN), MIRIDESAP [WHO-DD], CHEMBL25263, GTPL8256, orb1299946, SCHEMBL1537496, HZLAWYIBLZNRFZ-VXGBXAGGSA-N, GLXC-15410, EX-A14710, AKOS030528069, compound 52 [PMID 14998318], DB13087, R-1-(6-(R-2-carboxypyrrolidin-1-yl)-6-oxohexanoyl)pyrrolidine-2-carboxylic acid, AC-35760, BS-16672, DA-62489, SY310643, HY-101861, CS-0022098, NS00069687, Ro 63-8695|GSK2315698, D11464, D83697, Q5013646, 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS(D-PROLINE, (2R,2'R)-1,1'-Adipoylbis(pyrrolidine-2-carboxylicacid), CARBOXY PYRROLIDINE HEXANOYL PYRROLIDINE CARBOXYLATE, D-PROLINE, 1,1'-(1,6-DIOXO-1,6-HEXANEDIYL)BIS, (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxo-hexanoyl]pyrrolidine-2-carboxylic acid, (2R,2'R)-1,1'-(1,6-Dioxo-1,6-hexanediyl)di(2-pyrrolidinecarboxylic acid), (R)-1-[6-[(R)-2-carboxy-pyrrolidin-1-yl]-6-oxo-hexanoyl]-pyrrolidine-2-carboxylic acid, r-1-[6-[r-2-carboxy-pyrrolidin-1-yl]-6-oxo-hexanoyl] pyrrolidine-2-carboxylic acid, (2R,2 inverted exclamation mark R)-1,1 inverted exclamation mark -Adipoylbis(pyrrolidine-2-carboxylic Acid), (2R,2'R)-1,1'-(1,6-dioxohexane-1,6-diyl)dipyrrolidine-2-carboxylic acid (non-preferred name), (R)-1-(6-((R)-2-CARBOXY-PYRROLIDIN-1-YL)-6-OXO-HEXANOYL)PYRROLIDINE-2-CARBOXYLIC ACID
Theoretical properties:
molecular_formula: C16H24N2O6
molecular_weight: 340.37 g/mol
exact_mass: 340.16343649 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 7
heavy_atom_count: 24
topological_polar_surface_area: 115 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: MIRIDESAP is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Fiona Phillips (born 1 January 1961) is a British retired journalist, broadcaster and television presenter. She is best known for presenting the ITV Breakfast programme GMTV Today.
Compound: 13270-60-5
SMILES: [o+]1c(c(O)cc2c1cc(O)cc2O)-c3cc(OC)c(O)c(c3)O
InChIKey: AFOLOMGWVXKIQL-UHFFFAOYSA-O
Synonyms: 13270-60-5, Petunidol anion, NIOSH/LK9830000, LK98300000, 1-Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, 3,3',4',5,7-Pentahydroxy-5'-methoxyflavylium acid anion, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxychromenium, Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, acid anion, Benzopyrylium, 2-(3,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-, acid anion, 3,3',4',5,7-pentahydroxy-5'-methoxyflavylium, SCHEMBL21650, CHEMBL1275624, SCHEMBL29372982, SCHEMBL30884156, DTXSID60862666, AFOLOMGWVXKIQL-UHFFFAOYSA-O, BDBM644038, US11866416, Compound PAC, BDBM50347142, LMPK12010005, Flavylium, 3,3',4',5,7-pentahydroxy-5'-methoxy-, Q27145212, 2-(3-Methoxy-4,5-bis(oxidanyl)phenyl)chromenylium-3,5,7-triol, 2-(3,4-Dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-1-benzopyran-1-ium
Theoretical properties:
molecular_formula: C16H13O7+
molecular_weight: 317.27 g/mol
exact_mass: 317.06612775 g/mol
formal_charge: 1
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 2
heavy_atom_count: 23
topological_polar_surface_area: 111 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Petunidin is an anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'. It has a role as a plant metabolite. It is a conjugate acid of a petunidin(1-).
chebi: An anthocyanidin cation that is flavylium bearing five hydroxy substituents at positions 3, 3', 4', 5 and 7 as well as a methoxy substituent at position 5'.
chembl: PETUNIDIN is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Leave It to Beaver is an American television situation comedy about an inquisitive and often naïve boy named Theodore "The Beaver" Cleaver (portrayed by Jerry Mathers) and his adventures at home, in school, and around his suburban neighborhood. The show was created by Amos 'n' Andy writers Joe Connelly and Bob Mosher. The series comprises 234, full-screen, black-and-white episodes, excluding the pilot. The show was televised from October 4, 1957, to June 20, 1963.
The pilot, titled "It's a Small World", aired on April 23, 1957. It featured Casey Adams as Ward Cleaver, and Paul Sullivan as Wally Cleaver. TV Land re-aired it on October 6, 2007, as part of their twenty-four-hour marathon to commemorate the show's 50th anniversary.
Universal Studios Home Entertainment has released seasons one and two of the series on DVD Region 1. The pilot episode is included on the season-one DVD. Shout! Factory released Season 3 on June 15, 2010, and the complete series set was released on June 29, 2010.
Compound: 4619-20-9
SMILES: O=C(O)CCC(=O)c1ccc(C)cc1
InChIKey: OEEUWZITKKSXAZ-UHFFFAOYSA-N
Synonyms: 4619-20-9, 4-Oxo-4-(p-tolyl)butanoic acid, 4-(4-Methylphenyl)-4-oxobutanoic acid, ZYB7JU7CMX, 3-p-Toluoylpropionic acid, NSC-54788, Propionic acid, 3-p-toluoyl-, beta-(4-Methylbenzoyl)propionic acid, 4-methyl-gamma-oxobenzenebutanoic acid, .BETA.-(4-METHYLBENZOYL)PROPIONIC ACID, 4-METHYL-.GAMMA.-OXOBENZENEBUTANOIC ACID, ZOLPIDEM TARTRATE IMPURITY C [EP IMPURITY], ZOLPIDEM TARTRATE IMPURITY C (EP IMPURITY), RefChem:514417, 610-285-9, 3-(4-Methylbenzoyl)propionic acid, 4-(4-Methylphenyl)-4-oxobutyric acid, MFCD00020541, UNII-ZYB7JU7CMX, 3-(4-Methylbenzoyl)-propionic Acid, Benzenebutanoic acid, 4-methyl-gamma-oxo-, 4-oxo-4-p-tolylbutanoic acid, 4-Oxo-4-(4-tolyl)butyric acid, 3-(p-Toluoyl)propionic acid, 4-Oxo-4-p-tolylbutyric acid, NSC54788, Zolu-1, Maybridge1_000077, MixCom1_000143, Zolpidem Tartrate Impurity 8, MLS000571116, SCHEMBL822930, 4-Oxo-4-p-tolyl-butyric acid, orb3031203, CHEMBL1483046, 4-(p-Tolyl)-4-oxobutyric Acid, 4-Oxo-4-(p-tolyl)butyric Acid, DTXSID00288225, 4-Methyl-?-oxobenzenebutanoic acid, Fr12749, ALBB-020398, 4-Oxo-4-(para-tolyl)-butyric acid, BBL000484, SBB040537, STK202164, AKOS000199954, BS-4059, CCG-200196, IM57803, s10915, 4-(4-methyl-phenyl)-4-oxobutanoic acid, AC-16655, SMR000150690, SY032321, 4-(4-Methylphenyl)-4-oxobutanoic acid #, DB-051360, ST4119834, CS-0128424, M1377, NS00022206, 4-(4-Methylphenyl)-4-oxobutyric acid, 98%, EN300-17198, AF-962/00506035, F319103, Q4637072, Z56899081, InChI=1/C11H12O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-5H,6-7H2,1H3,(H,13,14
Theoretical properties:
molecular_formula: C11H12O3
molecular_weight: 192.21 g/mol
exact_mass: 192.078644241 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 14
topological_polar_surface_area: 54.4 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Cooladdi is a rural town and locality in the Shire of Murweh, Queensland, Australia. The town is 88.9 kilometres (55.2 mi) south-west of Charleville.
Claims have been made that Cooladdi is Australia's smallest town by population. In 2015, the population was 3 (down from 4 in 2013), all of whom lived at the general store. In the 2021 census, the locality of Cooladdi had a population of 7 people.
SMILES: O=C1O[C@H](/C=C/[C@@H](O)CCCCC)[C@@H](C/C=C\CCCC(=O)O)[C@H](C1)O
InChIKey: KJYIVXDPWBUJBQ-UHHGALCXSA-N
Theoretical properties:
Physical properties:
Descriptions:
chebi: A thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B<small><sub>2</sub></small>.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.