anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=C[NH+]=C2 C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=C[NH+]=C2 is an imidazolium ion resulting from the protonation  of the nitrogen at position 3 of the imidazole group of neticonazole. It is a conjugate acid of neticonazole . It is also related to or classified as imidazolium ion .
The molecule C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2 C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2 is an enamine that is ethene which is substituted at positions 1, 1, and 2 by o-pentoxyphenyl, 1H-imidazol-1-yl, and methylthio groups, respectively (the E isomer). An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan (generally as the corresponding hydrochloride salt) as an antifungal drug for the treatment of superficial skin infections. It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It has the role of antifungal drug .   It is also related to or classified as enamine  . It is also related to or classified as methyl sulfide  . It is also related to or classified as benzenes , aromatic ether , imidazole antifungal drug , conazole antifungal drug , imidazoles .
The molecule N(=C/C1=CC=C(C=C1)/C=N/C2C(=O)NOC2)\C3C(=O)NOC3 N(=C/C1=CC=C(C=C1)/C=N/C2C(=O)NOC2)\C3C(=O)NOC3 is terizidone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC\C=[S+]/[O-] CC\C=[S+]/[O-] is A propanethial S-oxide in which the double bond adopts a Z-configuration. It is also related to or classified as (Z)-alkanethial S-oxide  . It is also related to or classified as propanethial S-oxide  .
The molecule [H]C(CCN(C)C)=C1C2=C(SC=C2)SCC2=C1C=CC=C2 [H]C(CCN(C)C)=C1C2=C(SC=C2)SCC2=C1C=CC=C2 is an organic heterotricyclic compound that is 4,9-dihydrothieno[2,3-c][2]benzothiepine substituted by a 3-(dimethylamino)propylidene group at position 4. It has the role of H1-receptor antagonist . It has the role of platelet aggregation inhibitor . It has the role of anti-allergic agent . It has the role of antiemetic . It is also related to or classified as organic heterotricyclic compound , organosulfur heterocyclic compound , tertiary amino compound , olefinic compound .
The molecule CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C is A cyclopropanecarboxylate ester obtained by formal condensation between  2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol. It has the role of agrochemical . It has the role of pyrethroid ester insecticide . It has the role of pyrethroid ester acaricide . Its functional parent is 2,2,3,3-tetramethylcyclopropanecarboxylic acid . It is also related to or classified as aromatic ether , cyclopropanecarboxylate ester .
The molecule CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(O)CCC(O)=O CC1=CC=CC=C1C(=O)NC1=CC(C)=C(C=C1)C(=O)NC1=CC=C(Cl)C=C1C(O)CCC(O)=O is A 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan. It has the role of drug metabolite . Its functional parent is tolvaptan .  It is also related to or classified as benzenedicarboxamide  . It is also related to or classified as 4-hydroxy monocarboxylic acid .
The molecule O=C1C(SC(N1CC)=CC(OCC)=O)N2CCCCC2 O=C1C(SC(N1CC)=CC(OCC)=O)N2CCCCC2 is piprozolin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCOC(=O)OC1=C(C(=O)N(C)C11CCN(CC1)OC)C1=C(C)C=C(Cl)C=C1C CCOC(=O)OC1=C(C(=O)N(C)C11CCN(CC1)OC)C1=C(C)C=C(Cl)C=C1C is an azaspiro compound that is 1-methoxypiperidine which is fused at position 4 to the 5-position of a 1,5-dihydro-2H-pyrrol-2-one that is substituted at positions 1, 3 and 4 by methyl, 4-chloro-2,6-dimethylphenyl and (ethoxycarbonyl)oxy groups, respectively. It is a proinsecticide developed by Syngenta and used to protect a wide range of crops from some of the most damaging, difficult to control sucking pests such as aphids, whiteflies, Pysllids, armoured scales, soft scales, spider mites, rust mites, and red mites including California red scale, green peach aphid (Myzus persicae), tobacco whitefly etc. It has the role of proinsecticide . It has the role of agrochemical . It has the role of EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor . It is also related to or classified as tetramic acids , azaspiro compound , carbonate ester , monochlorobenzenes .
The molecule O=C1NC2=C(C(=NC1)C3=CC=CC=C3)C4=C(S2)CCCC4 O=C1NC2=C(C(=NC1)C3=CC=CC=C3)C4=C(S2)CCCC4 is bentazepam. It is also related to or classified as organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule C1OCOCO1 C1OCOCO1 is A saturated organic heteromonocyclic parent that is cyclohexane in which the carbon atoms at positions 1, 3 and 5 are replaced by oxygen atoms.  It is also related to or classified as trioxane  . It is also related to or classified as saturated organic heteromonocyclic parent .
The molecule COCCCNc1nc(NCCCOC)nc(OC)n1 COCCCNc1nc(NCCCOC)nc(OC)n1 is methometon. It has the role of herbicide . Its functional parent is 6-methoxy-1,3,5-triazine-2,4-diamine . It is also related to or classified as diamino-1,3,5-triazine , methoxy-1,3,5-triazine .
The molecule S(N)(=O)(=O)C1=CC(N)=C(C=C1)[As](O)(O)=O S(N)(=O)(=O)C1=CC(N)=C(C=C1)[As](O)(O)=O is sulfarside.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule O=C(NC(C1=CC=CC=C1)(C)C)C=2C=3C(N(CCCCC(O)=O)C2)=CC=CC3 O=C(NC(C1=CC=CC=C1)(C)C)C=2C=3C(N(CCCCC(O)=O)C2)=CC=CC3 is CUMYL-PICA N-pentanoic acid metabolite. It is also related to or classified as indolyl carboxylic acid .
The molecule [C@@H]([C@H](NC(CN=[N+]=[N-])=O)CO)(O)C1=CC=C(C=C1)[N+](=O)[O-] [C@@H]([C@H](NC(CN=[N+]=[N-])=O)CO)(O)C1=CC=C(C=C1)[N+](=O)[O-] is azidamfenicol. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [C@@H](/C=N/NC(=O)C=1C=CN=CC1)(O)[C@@]2([C@H](O)[C@@H](C(O2)=O)O)[H] [C@@H](/C=N/NC(=O)C=1C=CN=CC1)(O)[C@@]2([C@H](O)[C@@H](C(O2)=O)O)[H] is glyconiazide. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule ONCC(O)=O ONCC(O)=O is N-hydroxyglycine. Its functional parent is glycine . It is also related to or classified as N-hydroxy-alpha-amino-acid  .
The molecule C[C@@]12[C@]([C@]3(C(C=C1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@]2(C#C)O)[H] C[C@@]12[C@]([C@]3(C(C=C1)=C4C(CC3)=CC(CC4)=O)[H])(CC[C@]2(C#C)O)[H] is norgestrienone. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule c1cnncn1 c1cnncn1 is 1,2,4-triazine. It is also related to or classified as triazine  . It is also related to or classified as 1,2,4-triazines .
The molecule S(NC1=NC(=O)N(C=C1)CC)(=O)(=O)C2=CC=C(C=C2)N S(NC1=NC(=O)N(C=C1)CC)(=O)(=O)C2=CC=C(C=C2)N is sulfacytine.  It is also related to or classified as sulfonamide  . It is also related to or classified as benzenes .
The molecule CCC1=C(C)/C2=C/c3c(C=C)c(C)c4\C=C5/N=C(C(\C=C\C(O)=O)=C/5C)C5=c6c(C(=O)C5C(=O)OC)c(C)c(=CC1=N\2)n6[Mg]n34 CCC1=C(C)/C2=C/c3c(C=C)c(C)c4\C=C5/N=C(C(\C=C\C(O)=O)=C/5C)C5=c6c(C(=O)C5C(=O)OC)c(C)c(=CC1=N\2)n6[Mg]n34 is chlorophyll c1. It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  . It is also related to or classified as dicarboxylic acid monoester .
The molecule O(C1=CC(=C(C2=CC=C(OC)C=C2)C=C1)C#N)C O(C1=CC(=C(C2=CC=C(OC)C=C2)C=C1)C#N)C is 4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule CC[C@@H]([C@@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1 CC[C@@H]([C@@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1 is A 4,4'-pentane-2,3-diylbis(2-fluorophenol) that has (2R,3S)-stereoconfiguration. It is also related to or classified as 4,4'-pentane-2,3-diylbis(2-fluorophenol)  .
The molecule CC[C@H]([C@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1 CC[C@H]([C@H](C)C1=CC=C(O)C(F)=C1)C1=CC=C(O)C(F)=C1 is A 4,4'-pentane-2,3-diylbis(2-fluorophenol) that has (2S,3R)-stereoconfiguration. It is also related to or classified as 4,4'-pentane-2,3-diylbis(2-fluorophenol)  .
The molecule O=C1N2C(N=C3[C@@]1(O)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C O=C1N2C(N=C3[C@@]1(O)C=CC=CO3)=C(NC([C@@H]2CC4=CC=CC=C4)=O)C(CC)C is Brevianamide L. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=C(O)C(CC4)=O)[H])[H])[H])(CC[C@@H]2O)[H] C[C@@]12[C@]([C@]3([C@](CC1)([C@@]4(C(CC3)=C(O)C(CC4)=O)[H])[H])[H])(CC[C@@H]2O)[H] is oxabolone. It has the role of estrogen . It is also related to or classified as steroid  .
The molecule S(=O)(=O)(NC(=O)[C@@H](N)[C@H](CC)C)CC(=O)N[C@]1(C(=O)O)[C@H]2[C@H](C(C(=O)N)=CN(C2)C)C[C@@H]1OC(=O)[C@@H](N)[C@H](C3=CC=CC=C3)C S(=O)(=O)(NC(=O)[C@@H](N)[C@H](CC)C)CC(=O)N[C@]1(C(=O)O)[C@H]2[C@H](C(C(=O)N)=CN(C2)C)C[C@@H]1OC(=O)[C@@H](N)[C@H](C3=CC=CC=C3)C is SB-203208. It is a conjugate acid of SB-203208(1-) . It is also related to or classified as isoleucine derivative .
The molecule C(CC[NH+](C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2 C(CC[NH+](C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2 is clofedanol(1+). It is a conjugate acid of clofedanol . It is also related to or classified as ammonium ion derivative .
The molecule [H]C(C=C([H])C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CC)c2ccc(cc2C1(C)C)S([O-])(=O)=O [H]C(C=C([H])C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O)=CC([H])=C1N(CC)c2ccc(cc2C1(C)C)S([O-])(=O)=O is Cy5-monofunctional dye(1-). It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as Cy5 dye  .
The molecule COC(=O)C1C(=O)c2c(C)c3=CC4=N\C(=C/c5c(C=C)c(C)c6\C=C7/N=C(C(\C=C\C(O)=O)=C/7C)C1=c2n3[Mg]n56)\C(C)=C4C=C COC(=O)C1C(=O)c2c(C)c3=CC4=N\C(=C/c5c(C=C)c(C)c6\C=C7/N=C(C(\C=C\C(O)=O)=C/7C)C1=c2n3[Mg]n56)\C(C)=C4C=C is chlorophyll c2. It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  . It is also related to or classified as dicarboxylic acid monoester .
The molecule C(CCN(C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2 C(CCN(C)C)(O)(C1=C(Cl)C=CC=C1)C2=CC=CC=C2 is A diarylmethane that is 2-chlorophenyl(phenyl)methane substituted on the methane carbon by a 2-(dimethylamino)ethyl group. Used in the treatment of dry cough, it suppresses the cough reflex by a direct effect on the cough centre in the medulla of the brain. It has the role of antitussive . It is also related to or classified as tertiary amino compound , diarylmethane .
The molecule C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(C=C2)Cl C(OC(=O)C=1C=CC=NC1)(C(C)C)C2=CC=C(C=C2)Cl is nicoclonate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C(C(N(C)C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2 C(C(N(C)C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2 is isothipendyl. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule [H]C(=CC([H])=C1N(CC)c2ccc(cc2C1(C)C)S([O-])(=O)=O)C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O [H]C(=CC([H])=C1N(CC)c2ccc(cc2C1(C)C)S([O-])(=O)=O)C1=[N+](CCCCCC(=O)ON2C(=O)CCC2=O)c2ccc(cc2C1(C)C)S([O-])(=O)=O is an organosulfonate oxoanion derived from a Cy3 dye. It is also related to or classified as organosulfonate oxoanion  . It is also related to or classified as Cy3 dye  .
The molecule C(CCN(C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2 C(CCN(C)C)N1C2=C(SC=3C1=NC=CC3)C=CC=C2 is prothipendyl. It is also related to or classified as aromatic amine , tertiary amino compound .
The molecule O=C1C(SC(N1C)=CC(OCC)=O)N2CCCCC2 O=C1C(SC(N1C)=CC(OCC)=O)N2CCCCC2 is etozolin. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O=C(NCCC=1N=CC=CC1)C=2C(N)=CC=CC2 O=C(NCCC=1N=CC=CC1)C=2C(N)=CC=CC2 is N1-[2-(2-pyridyl)ethyl]-2-aminobenzamide. Its functional parent is anthranilic acid . It is also related to or classified as benzamides .
The molecule O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 O=S1(=O)CCN(CN2CCS(=O)(=O)NC2)CN1 is A member of the class of thiadiazinanes that is 1,2,4-thiadiazinane 1,1-dioxide substituted by a (1,1-dioxido-1,2,4-thiadiazinan-4-yl)methyl group at position 4. It is a broad-spectrum antiseptic used as lock therapy solution in patients with long term central venous catheters for the prevention of catheter related bloodstream infections. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of antifungal agent . It has the role of antiseptic drug . It has the role of anti-inflammatory agent . It is also related to or classified as sulfone  . It is also related to or classified as thiadiazinane .
The molecule CC\C=[S+]\[O-] CC\C=[S+]\[O-] is A propanethial S-oxide in which the double bond adopts an E-configuration. It is also related to or classified as propanethial S-oxide  .
The molecule C(CO)(Br)(Br)Br C(CO)(Br)(Br)Br is tribromoethanol. It is also related to or classified as alcohol  . It is also related to or classified as organobromine compound  .
The molecule [H]C(=O)c1c(C)c2\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=c4c(C(=O)[C@@H]3C(=O)OC)c(C)c3=CC5=N\C(=C/c1n2[Mg]n43)\C(C)=C5CC [H]C(=O)c1c(C)c2\C=C3/N=C([C@@H](CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C)C3=c4c(C(=O)[C@@H]3C(=O)OC)c(C)c3=CC5=N\C(=C/c1n2[Mg]n43)\C(C)=C5CC is chlorophyll d. It is also related to or classified as methyl ester  . It is also related to or classified as chlorophyll  .
The molecule O=C1NC(CC=2C=3C(NC2)=CC=CC3)C(=O)NC1CC=4C=5C(NC4)=CC=CC5 O=C1NC(CC=2C=3C(NC2)=CC=CC3)C(=O)NC1CC=4C=5C(NC4)=CC=CC5 is 3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(=O)(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=N3 C(=O)(N1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=N3 is piberaline. It is also related to or classified as pyridinemonocarboxylic acid , aromatic carboxylic acid .
The molecule C(OCCN(C)C)(=O)C1=C(O)C=C(C=C1)NCCCC C(OCCN(C)C)(=O)C1=C(O)C=C(C=C1)NCCCC is hydroxytetracaine. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule N(C(C)=O)C1=CC([As](=O)(O)O)=CC=C1O N(C(C)=O)C1=CC([As](=O)(O)O)=CC=C1O is acetarsol. It is also related to or classified as anilide  . It is also related to or classified as acetamides .
The molecule c1nc2ncnc3ncnc(n1)n23 c1nc2ncnc3ncnc(n1)n23 is tri-s-triazine. It is also related to or classified as mancude organic heterotricyclic parent , heptaazaphenalene .
The molecule C=1(C(=CC=CC1C)C)NC(CC23CCCN3CCC2)=O C=1(C(=CC=CC1C)C)NC(CC23CCCN3CCC2)=O is A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan. It has the role of anti-arrhythmia drug . It has the role of sodium channel blocker . It is also related to or classified as secondary carboxamide  . It is also related to or classified as organic heterobicyclic compound .
The molecule CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)C)O is a steroid ester, a 20-oxo steroid, an acetate ester, a 17alpha-hydroxy steroid, an 11-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid and a tertiary alpha-hydroxy ketone. It derives from a prednisone.
The molecule OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O OC1=CC=C(C=C1S([O-])(=O)=O)C1(OC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C12)C1=CC=C(O)C(=C1)S([O-])(=O)=O is an organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein. It has the role of dye . It is also related to or classified as organosulfonate oxoanion  .
The molecule C=1(C=C(C=CC1O)[C@H]([C@H](OC2=CC=C(C=C2OC)/C=C/CO)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)O)OC C=1(C=C(C=CC1O)[C@H]([C@H](OC2=CC=C(C=C2OC)/C=C/CO)CO[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO)O)OC is (2R,3R)-3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-{4-[(1E)-3-hydroxyprop-1-en-1-yl]-2-methoxyphenoxy}propyl beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C C[C@H]1CN[C@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C(=O)N(C[C@H]1OC)C)C is 3-fluoro-N-[(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]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCC/C=C\\CCCCCCCC(=O)O is a tetradecenoic acid in which the double bond is at the 9-10 position and has Z configuration. Myristoleic acid has been isolated from Serenoa repens and has cytotoxic and apoptosis-inducing effects. It has a role as an apoptosis inducer, a plant metabolite and an EC 3.1.1.1 (carboxylesterase) inhibitor. It is a tetradecenoic acid and a long-chain fatty acid. It is a conjugate acid of a myristoleate.
The molecule COC=1C=C(C(=C(C1NS(C2(CC2)C[C@](CO)([H])O)(=O)=O)NC=3C=CC(=CC3F)I)F)F COC=1C=C(C(=C(C1NS(C2(CC2)C[C@](CO)([H])O)(=O)=O)NC=3C=CC(=CC3F)I)F)F is refametinib is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity. Refametinib specifically inhibits mitogen-activated protein kinase kinase 1 (MAP2K1 or MAPK/ERK kinase 1), resulting in inhibition of growth factor-mediated cell signaling and tumor cell proliferation. It is also related to or classified as organic molecular entity .
The molecule CC(=CCC[C@H]([C@H]1[C@@H](C[C@@]2([C@@]1(CCC3=C2CC[C@H]([C@]3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C is a tricyclic triterpenoid isolated from Poria cocos. It has a role as a fungal metabolite. It is a dicarboxylic acid, a secondary alcohol and a tricyclic triterpenoid.
The molecule [31Si] is the radioactive isotope of silicon with relative atomic mass 30.975363, half-life of 2.62 hours and nuclear spin (3)/2.
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4=CC=C(C=C4)OC is 1-(3,5-dimethyl-4-isoxazolyl)-3-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)methyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\\CCCC(=O)NCCO)O)O)O is an N-acylethanolamine compound formed by a condensation of prostaglandin F2alpha and ethanolamine. It is a N-acylethanolamine and a prostaglandins Falpha. It derives from a prostaglandin F2alpha.
The molecule CC1=CC(=C2C(=C1)O[C@@]3([C@@H](C=CC=C3C2=O)O)C(=O)OC)O is a member of the class xanthones which consists of a dihydroxanthone skeleton substituted by hydroxy groups at positions 4 and 8, a methyl group at position 6 and a methoxycarbonyl group at position 4a (the 4R,4aS stereoisomer). It is isolated from Emericella nidulans var lata and Penicillium and exhibits potent antitumour activity against both human and murine tumour cell lines. It has a role as an antimicrobial agent, an antineoplastic agent and a Penicillium metabolite. It is a member of xanthones, a member of phenols and a methyl ester.
The molecule C=1C=C(C=CC1CC2(C(C3=C(C=C(C=C3O2)O)OC4C(C(C(C(CO)O4)O)O)O)=O)O)O C=1C=C(C=CC1CC2(C(C3=C(C=C(C=C3O2)O)OC4C(C(C(C(CO)O4)O)O)O)=O)O)O is 2,6-dihydroxy-2-[(4-hydroxyphenyl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-4-yl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as aurones  .
The molecule CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC(=C(C=C3)OC(=O)C4=CC=CC=C4)OC is benzoic acid [4-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)-2-methoxyphenyl] ester. It is also related to or classified as pyranopyrazole , benzoate ester .
The molecule CC(N)COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC1=C2C=CC=C1)C1=CC=C2C=CC=CC2=C1 CC(N)COC(=O)C(CCCCN)NC(=O)CC1=C(NC2=C1C=CC1=C2C=CC=C1)C1=CC=C2C=CC=CC2=C1 is A benzoindole that is 1H-benzo[g]indole substituted by naphthalen-2-yl and 2-({(2R)-6-amino-1-[(2S)-2-aminopropoxy]-1-oxohexan-2-yl}amino)-2-oxoethyl groups at positions 2 and 3, respectively. It is a selective nonpeptidic agonist of the somatostatin subtype-5 (SST5) receptor with Ki of 0.4 nM. It has the role of somatostatin receptor agonist . It has the role of hypoglycemic agent . It has the role of neuroprotective agent . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as carboxylic ester  . It is also related to or classified as naphthalenes , benzoindole , primary amino compound .
The molecule C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] is biphenyl substituted with nitro groups at the 2- and 2'-positions. It is a member of biphenyls and a C-nitro compound.
The molecule C1=C(C=CC(=C1)[C@@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4 C1=C(C=CC(=C1)[C@@H](C(CC)CC)N2C=NC=N2)NC=3SC4=C(N3)C=CC=C4 is an N-{4-[2-ethyl-1-(1H-1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine that is the (R)-enantiomer of talarozole. The racemate is used for the treatment of keratinization disorders, psoriasis and acne. It is also related to or classified as N-{4-[2-ethyl-1-(1,2,4-triazol-1-yl)butyl]phenyl}-1,3-benzothiazol-2-amine  .
The molecule CC1(CCC(O1)C(C)(C)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O)O)O)O)C=C is a disaccharide derivative obtained by formal condensation of the hydroxy group of linalool 3,6-oxide with the anomeric centre of beta-D-xylosyl-(1->6)-beta-D-glucose It has a role as a Camellia sinensis metabolite. It is a disaccharide derivative, a glycoside and a member of oxolanes.
The molecule CC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of N-acetyl-L-tyrosine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a N-acyl-L-alpha-amino acid anion and a monocarboxylic acid anion. It is a conjugate base of a N-acetyl-L-tyrosine.
The molecule O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)=CC=8OCOC8C5 O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)CO)=CC=8OCOC8C5 is Neocuscutoside C. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule COC(=O)C1=CC=C(C=C1)C(=O)OC COC(=O)C1=CC=C(C=C1)C(=O)OC is A diester resulting from the formal condensation of the carboxy groups of terephthalic acid with methanol. It is a primary ingredient widely used in the manufacture of polyesters and industrial plastics. Its functional parent is terephthalic acid . It is also related to or classified as methyl ester  .  It is also related to or classified as diester  . It is also related to or classified as phthalate ester .
The molecule C1=NC2=C(N1)C(=O)N=CN2O is an oxopurine that is 3,9-dihydro-6H-purine which is substituted by an oxo group at position 6 and in which the hydrogen attached to the nitrogen at position 3 is replaced by a hydroxy group. It is a major component of Schreckstoff, an alarm pheromone found in fish. It has a role as an alarm pheromone and a metabolite. It is a member of hydroxylamines, an oxopurine and a member of purine N-oxides.