anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C CCCC(=O)NC1=CC2=C(C=C1)OC[C@@H](N(C[C@@H]([C@@H](CN(C2=O)C)OC)C)C(=O)C3=NC=CN=C3)C is N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-5-[oxo(2-pyrazinyl)methyl]-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3O2)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O is an oxonium betaine that is the conjugate base of cyanidin 3-O-beta-D-glucoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3. It is a beta-D-glucoside and an oxonium betaine. It is a conjugate base of a cyanidin 3-O-beta-D-glucoside. It is a conjugate acid of a cyanidin 3-O-beta-D-glucoside(1-).
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OCCCCN)O)O)O is a glycoside that is alpha-L-fucose in which the hydrogen of the anomeric hydroxy group is replaced by a 4-aminobutyl group. A synthetic version of the alpha-fucosyl glycoside (AFG) epitope from the major peanut allergen glycoprotein Arachis hypogaea h2 (Ara-h2). It has a role as an allergen. It derives from an alpha-L-fucose.
The molecule CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(=O)C)O[C@@]5(C[C@@H]([C@H]([C@@H](O5)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O is a carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of GM1 ganglioside. It is a carbohydrate acid derivative anion and a ganglioside GM1/1b(1-). It is a conjugate base of a ganglioside GM1.
The molecule CCN(CC)C(=O)CC#N CCN(CC)C(=O)CC#N is N,N-diethylcyanoacetamide. It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as aliphatic nitrile  .
The molecule [Mo] [Mo] is molybdenum atom. It has the role of micronutrient . It is also related to or classified as chromium group element atom .
The molecule [H][C@@]1(CCC(C)=CC1)C(C)(C)O [H][C@@]1(CCC(C)=CC1)C(C)(C)O is the (S)-enantiomer of alpha-terpineol. It has the role of plant metabolite . It is also related to or classified as alpha-terpineol  .
The molecule OC(=O)c1ccccc1I=O OC(=O)c1ccccc1I=O is A benzoic acid compound having an iodosyl substituent at the ortho-position. It has the role of EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor .  It is also related to or classified as organoiodine compound  . It is also related to or classified as benzoic acids .
The molecule CCCCOCCOCCOCc1cc2OCOc2cc1CCC CCCCOCCOCCOCc1cc2OCOc2cc1CCC is piperonyl butoxide. It has the role of pesticide synergist . It is also related to or classified as benzodioxoles .
The molecule N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(CC[NH3+])=O)=O)[C@H]([C@H]3O)O N1(C2=C(C(=NC=N2)N)N=C1)[C@@H]3O[C@H](COP([O-])(OC(CC[NH3+])=O)=O)[C@H]([C@H]3O)O is major microspecies at pH 7.3. Its functional parent is adenosine 5'-monophosphate . Its functional parent is beta-alanine zwitterion . It is also related to or classified as zwitterion  . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN3CCOCC3 C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)C(=O)CN3CCOCC3 is N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-8-[2-(4-morpholinyl)-1-oxoethyl]-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)C.Cl is a hydrochloride resulting from the formal reaction of equimolar amounts of prinomastat and hydrogen chloride. A selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has a role as a matrix metalloproteinase inhibitor, an antineoplastic agent and an EC 3.4.24.35 (gelatinase B) inhibitor. It contains a prinomastat(1+).
The molecule C([C@@H](C(=O)[O-])[NH3+])[C@H](C(=O)[O-])O is a dicarboxylic acid monoanion obtained by deprotonation of the carboxy groups and protonation of the amino group of erythro-4-hydroxy-L-glutamic acid. It has a role as a human metabolite. It is a dicarboxylic acid monoanion and a L-alpha-amino acid anion. It derives from a L-glutamate(1-). It is a conjugate base of an erythro-4-hydroxy-L-glutamic acid.
The molecule CC(CC(=O)O[C@H]1[C@H]([C@H](O[C@H]([C@@H]1O)O[C@H]2[C@@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H]5[C@H]([C@@H]([C@H]([C@H](O5)O)OC(=O)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)C(=O)[O-])O)O)O)O)OC(=O)C)O)O)CO)CO)CO)O)CO)O)O is a branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronate residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two non-stoichiometric O-acetyl groups and one non-stoichiometric hydroxybutanoyl group. Note that the structure shown and its molfile represent only one of the possible substitution patterns.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\Cc1ccccc1O is A 2-polyprenylphenol in which the polyprenyl chain contains 8 prenyl units; major species at pH 7.3. It has the role of Escherichia coli metabolite . It is also related to or classified as 2-polyprenylphenol .
The molecule C[C@@H]1O[C@@H](C[C@@](C)(O)[C@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O C[C@@H]1O[C@@H](C[C@@](C)(O)[C@H]1O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O is A dTDP-sugar having beta-L-mycarose as the sugar component. It has the role of metabolite . It is a conjugate acid of dTDP-beta-L-mycarose(2-) . It is also related to or classified as dTDP-sugar  .
The molecule [Se] [Se] is selenium atom. It has the role of micronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as chalcogen  .
The molecule CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O CC(C)(C#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)S(=O)(=O)C)O is 4-[4-[(8R,9R,10R)-10-(hydroxymethyl)-6-methylsulfonyl-1,6-diazabicyclo[6.2.0]decan-9-yl]phenyl]-2-methyl-3-butyn-2-ol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC=CC(=N4)C CC1=CC=C(C=C1)C2=CSC3=NN=C(N23)SCC(=O)NC4=CC=CC(=N4)C is 2-[[5-(4-methylphenyl)-3-thiazolo[2,3-c][1,2,4]triazolyl]thio]-N-(6-methyl-2-pyridinyl)acetamide. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule CC1=CC[C@H]2[C@H]3C1[C@]2(CC[C@H]3C(C)C)C is a sesquiterpene that is tricyclo[4.4.0.0(2,7)]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S-diastereomer). It is a sesquiterpene and a bridged compound.
The molecule C1=CC(=C(C2=C1NC=C2O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)Cl)Br is an indolyl carbohydrate that is the alpha-D-galactoside of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively. It is an organobromine compound, an organochlorine compound, an indolyl carbohydrate, a D-aldohexose derivative and an alpha-D-galactoside. It derives from an indoxyl.
The molecule CC(CCCCCC/C=C\\C/C=C\\C/C=C\\CCCC(=O)[O-])O is an (omega-1)-hydroxy fatty acid anion that is the conjugate base of 19-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an (omega-1)-hydroxy fatty acid anion, an icosanoid anion, a long-chain fatty acid anion and a hydroxy polyunsaturated fatty acid anion. It is a conjugate base of a 19-HETrE.
The molecule CC(C)/C(=C/CC(C)(C=C)O)/OO is linalool hydroperoxide where the hydroperoxy group is located at position 6 of the linalool skeleton; one of the two main allergenic hydroperoxides formed by autoxidation of linalool. It has a role as an allergen.
The molecule OC(CC(=O)CCC1=CC(OC)=C(O)C=C1)CCC OC(CC(=O)CCC1=CC(OC)=C(O)C=C1)CCC is 4-Gingerol.  It is also related to or classified as phenols  . It is also related to or classified as monomethoxybenzene , beta-hydroxy ketone .
The molecule COc1ccc(cc1OC)C(O)=O COc1ccc(cc1OC)C(O)=O is A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3. It has the role of allergen . It has the role of plant metabolite . It is also related to or classified as benzoic acids .
The molecule [H]C(=CC=O)C(O)CCCCC [H]C(=CC=O)C(O)CCCCC is an enal consisting of non-2-ene having an oxo group at the 1-position and a hydroxy group at the 4-position. It has the role of human metabolite . It is also related to or classified as 4-hydroxynonenal  . It is also related to or classified as enal  . It is also related to or classified as hydroxyaldehyde  .
The molecule [H][C@]1(CC[C@@]2(C)CCCC(=C)[C@]2([H])C1)C(C)=C [H][C@]1(CC[C@@]2(C)CCCC(=C)[C@]2([H])C1)C(C)=C is an optically active form of beta-selinene having (+)-(4aR,7R,8aS)-configuration. It is also related to or classified as beta-selinene .
The molecule C1[C@H]([C@@H](C([C@@H]([C@H]1N)O)O)O)N is an amino cyclitol consisting of scyllo-inositol with the hydroxy groups at positions 1 and 3 replaced by unsubstituted amino groups and that at position 2 replaced by hydrogen. It has a role as an antibacterial agent. It derives from a streptamine. It is a conjugate base of a 2-deoxystreptamine(1+).
The molecule C1[C@@H]([C@H](O[C@H]1N2C3C(C4C3N(C(=O)N=C4N)[C@H]5C[C@@H]([C@H](O5)CO)O)C(=NC2=O)N)CO)O is a nucleoside analogue obtained by formal cyclodimerisation of 2'-deoxycytidine. It has a role as a Mycoplasma genitalium metabolite. It is a cyclobutadipyrimidine and a nucleoside analogue.
The molecule CC(C)(C)C1=C(C(=CC=C1)C(C)(C)C)O is a member of the class of phenols carrying two tert-butyl substituents at positions 2 and 6. It has a role as an antioxidant. It is a member of phenols and an alkylbenzene.
The molecule CC(COCOCC1CO1)([N+]([O-])=O)[N+]([O-])=O CC(COCOCC1CO1)([N+]([O-])=O)[N+]([O-])=O is A C-nitro compound consisting of methanediol having a glycidyl group attached to one oxygen and a 2,2-dinitropropyl group attached to the other. Its functional parent is methanediol . It is also related to or classified as epoxide  . It is also related to or classified as C-nitro compound , acetal .
The molecule N#[N+] N#[N+] is dinitrogen(.1+). It is also related to or classified as diatomic nitrogen , inorganic radical cation .
The molecule OC(=O)C1=CN(C2CC2)C2=CC(N3CCN(CC3)S(O)(=O)=O)=C(F)C=C2C1=O OC(=O)C1=CN(C2CC2)C2=CC(N3CCN(CC3)S(O)(=O)=O)=C(F)C=C2C1=O is an organosulfonic acid that is ciprofloxacin  carrying a sulfo group at position 4 of the piperazine ring. It is a metabolite of ciprofloxacin. It has the role of drug metabolite . It has the role of human urinary metabolite . Its functional parent is ciprofloxacin .   It is also related to or classified as organosulfonic acid  . It is also related to or classified as quinolone , quinolinemonocarboxylic acid , N-arylpiperazine , cyclopropanes , quinolone antibiotic , fluoroquinolone antibiotic .
The molecule FC=1C=NC(=NC1C=2C=C(F)C=3N=C(N(C3C2)C(C)C)C)NC4=NC=C(C=C4)CN5CCN(CC)CC5 FC=1C=NC(=NC1C=2C=C(F)C=3N=C(N(C3C2)C(C)C)C)NC4=NC=C(C=C4)CN5CCN(CC)CC5 is abemaciclib is a cell cycle inhibitor selective for CDK4/6 with IC50 of 2 nM and 10 nM in cell-free assays, respectively. It is also related to or classified as organic molecular entity .
The molecule [H][C@]12CCC(=C)C=C1[C@@H](CC[C@H]2C)C(C)C [H][C@]12CCC(=C)C=C1[C@@H](CC[C@H]2C)C(C)C is an octahydronaphthalene that is 1,2,3,4,4a,5,6,7-octahydronaphthalene substituted by isopropyl, methyl, and methylidene groups at positions 1, 4 and 7, respectively (the (1S,4R,4aR)-stereoisomer). It has the role of volatile oil component . It has the role of plant metabolite . It has the role of algal metabolite .  It is also related to or classified as sesquiterpene  . It is also related to or classified as octahydronaphthalenes .
The molecule [Zn] [Zn] is zinc atom. It has the role of micronutrient . It is also related to or classified as zinc group element atom .
The molecule [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)OC [C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)OC is A methyl glycoside that consists of methyl beta-D-galactoside having an alpha-L-rhamnosyl residue at the 2-position. A core disaccharide from the Streptococcus pneumoniae type 23F capsular polysaccharide antigen.  It is also related to or classified as beta-D-galactoside  . It is also related to or classified as methyl glycoside , disaccharide derivative .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)OCCCCCN)O)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O is a linear trisaccharide derivative consisting of beta-D-galactose, alpha-D-galactose and beta-L-rhamnose residues linked sequentially (1->2) and (1->3) with the rhamnose residue linked glycosidically to a 5-aminopentyl group. It is a trisaccharide derivative and a glycoside.
The molecule C1[C@H]2[C@H](CO[C@@H]2C3=CC4=C(C=C3)OCO4)[C@H](O1)C5=CC6=C(C=C5)OCO6 is a lignan that consists of tetrahydro-1H,3H-furo[3,4-c]furan substituted by 1,3-benzodioxole groups at positions 1 and 4 (the 1S,3aR,4S,6aR stereoisomer). Isolated from Cinnamomum camphora, it exhibits cytotoxic activity. It has a role as an antineoplastic agent, a neuroprotective agent and a plant metabolite. It is a lignan, a member of benzodioxoles and a furofuran.
The molecule C1C=C[C@@H]([C@H](C1=O)N)C(=O)O is a 6-amino-5-oxocyclohex-2-ene-1-carboxylic acid in which stereocentre attached to the carboxylic acid group has S-configuration, while that attached to the amino group has R-configuration. It is an enantiomer of a (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid. It is a tautomer of a (1S,6R)-6-ammonio-5-oxocyclohex-2-ene-1-carboxylate.
The molecule [Ni] [Ni] is chemical element (nickel group element atom) with atomic number 28. It has the role of micronutrient . It has the role of epitope . It is also related to or classified as nickel group element atom , metal allergen .
The molecule C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C is 1-(4-methoxyphenyl)-3-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Na+].[O-][As]=O [Na+].[O-][As]=O is an inoganic sodium salt with formula with formula NaAsO2. It has the role of herbicide . It has the role of insecticide . It has the role of antibacterial agent . It has the role of rodenticide . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of carcinogenic agent . It is also related to or classified as arsenic molecular entity , inorganic sodium salt .
The molecule CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C is obatoclax is a small molecule and a pan-inhibitor of Bcl-2 family proteins, with pro-apoptotic activity. GX015-070 is a selective antagonist of the BH3-binding groove of the Bcl-2 family proteins, which are frequently overexpressed in cancers including chronic lymphocytic leukemia (CLL). This agent induces/restores apoptosis in cancer cells by inhibiting apoptosis suppressors in multiple members of the Bcl-2 family simultaneously. (NCIt). It is also related to or classified as organic molecular entity .
The molecule C1=C2NC=C(C2=CC=C1)CCNC(CC[NH3+])=O C1=C2NC=C(C2=CC=C1)CCNC(CC[NH3+])=O is A beta-alanine derivative that is the amide obtained by formal condensation of the carboxy group of beta-alanine with the primary amino group of tryptamine; major microspecies at pH 7.3. It is also related to or classified as beta-alanine derivative , tryptamines .
The molecule N1(CCC(CC1)(OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)CC=3C=CC=CC3)C(=O)OC(C)(C)C N1(CCC(CC1)(OC(N[C@H](C(N[C@H](C=O)C[C@H]2C(NCC2)=O)=O)CC(C)C)=O)CC=3C=CC=CC3)C(=O)OC(C)(C)C is Tert-butyl 4-benzyl-4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate. It has the role of anticoronaviral agent . It is also related to or classified as leucine derivative .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@H](C#N)C3=CC=CC=C3)O)O)O)O)O)OC(=O)/C=C/C4=CC=C(C=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O is an anthemis glycoside that is found in the cyanogenic achenes of Anthemis altissima. It is an anthemis glycoside, an O-acyl carbohydrate, a disaccharide derivative and a nitrile. It derives from a trans-cinnamic acid.
The molecule C/C/1=C/C[C@H]2[C@H](CC[C@@]2(C[C@H]3[C@@H]1CC[C@@]3(C)O)C)[C@@H](C)CCC=C(C)C is a sesterterpenoid that is (7Z)-ophiobola-7,19-diene carrying a hydroxy substituent at position 3. It has a role as a fungal metabolite. It is a sesterterpenoid, a carbotricyclic compound and a tertiary alcohol.
The molecule C[C@@]12CC3=C([C@](C(=N3)/C=C\\4/[C@H]([C@](/C(=C/5\\[C@@H]([C@@](C(=N5)/C=C(\\[N-]1)/C(=C2CC(=O)[O-])CCC(=O)[O-])(C)CCC(=O)[O-])CC(=O)[O-])/[N-]4)(C)CC(=O)[O-])CCC(=O)[O-])(C)CC(=O)[O-])CCC(=O)[O-].[Co] is a precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5B; major species at pH 7.3. It is a conjugate base of a cobalt-precorrin-5B.
The molecule CC(C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)Cl)C(=O)O is a monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group. It was used as a non-steroidal anti-inflammatory drug until 1982 when it was withdrawn from the market due to adverse side-effects including liver necrosis, photosensitivity, and carcinogenicity in animals. It has a role as a non-steroidal anti-inflammatory drug, an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor, an antipyretic, a non-narcotic analgesic, a protein kinase C agonist, a hepatotoxic agent, an antipsoriatic and a nephrotoxin. It is a member of 1,3-benzoxazoles, a monocarboxylic acid and a member of monochlorobenzenes. It derives from a propionic acid.
The molecule Nc1ccc(N)cc1 Nc1ccc(N)cc1 is A phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. It has the role of reagent . It has the role of dye . It has the role of allergen . It has the role of hapten . It is also related to or classified as phenylenediamine  .
The molecule C1=CC=C2C(=C1)C(CCNC3=CC=C(C=C3)N=C4C=CNC=C4)=CN2 C1=CC=C2C(=C1)C(CCNC3=CC=C(C=C3)N=C4C=CNC=C4)=CN2 is serdemetan is an orally bioavailable HDM2 antagonist with potential antineoplastic activity. Serdemetan inhibits the binding of the HDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53. By preventing this HDM2-p53 interaction, the proteasome-mediated enzymatic degradation of p53 is inhibited, which may result in the restoration of p53 signaling and thus the p53-mediated induction of tumor cell apoptosis. HDM2 (human homolog of double minute 2), a zinc finger protein, is a negative regulator of the p53 pathway; often overexpressed in cancer cells, it has been implicated in cancer cell proliferation and survival. It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C(=O)NC5CCCCC5 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@H](C)CO)C)CN(C)C(=O)NC5CCCCC5 is 1-[[(3S,9S,10R)-16-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-3-cyclohexyl-1-methylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)[NH+](C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC is an organic cation that is the conjugate acid of tylosin, obtained by protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of tylosin . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)F)C(=O)N(C[C@H]1OC)C)C)C(=O)C is N-[(4R,7R,8S)-5-acetyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-4-fluorobenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)O is the N-acetyl derivative of D-tryptophan. It is a D-tryptophan derivative and a N-acetyl-D-amino acid. It is a conjugate acid of a N-acetyl-D-tryptophanate. It is an enantiomer of a N-acetyl-L-tryptophan.
The molecule CCCCC/C=C\\C/C=C\\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\\C/C=C\\CCCCC is a 1,2-diacyl-sn-glycerol in which both acyl groups are specified as linoleoyl. It has a role as a mouse metabolite. It is a 1,2-diacyl-sn-glycerol and a dilinoleoylglycerol. It derives from a linoleic acid. It is an enantiomer of a 2,3-dilinoleoyl-sn-glycerol.
The molecule CC1=C(C(CCC1)(C)C)CCC(=O)C is a methyl ketone in which the keto group is attached to a 2-(2,6,6-trimethylcyclohex-1-en-1-yl)ethyl group. It has a role as a member of oxidized luciferins. It is a methyl ketone and a Latia luciferin.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC(=C(C=C4)Cl)Cl is 1-[(3R,9R,10R)-9-[[(3,4-dichlorophenyl)methyl-methylamino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-phenylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@H]1C)C)OC)C CCCN1C[C@H]([C@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)COC)OC[C@H]1C)C)OC)C is 2-methoxy-N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-5-propyl-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Co] [Co] is A cobalt group element atom that has atomic number 27. It has the role of micronutrient . It is also related to or classified as cobalt group element atom , metal allergen .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O is A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre. It is also related to or classified as beta-D-Galp-(1->4)-D-GlcpNAc  .