CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00449582" in compound.

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CFAM Mol ID CFAMM00449582
Family CFFBM18893 Testosterone 17-beta-dehydrogenase 3 and Estrogen receptor ligand AGN-PC-04XRWP family
Superfamily CFSBM7435 Inositol monophosphatase 1 and Testosterone 17-beta-dehydrogenase 3 Binder Superfamily
Class CFCID702 Class 2052
External ID ZINC11865308 External Source ZINC
PubChem CID 24280306 Functional Category Natural Product
Molecule Name ST50472297
IUPAC Name 2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
Synonyms AGN-PC-04GJZQ;MolPort-004-931-835;STL034975;ZINC11865308;AKOS002296119;MCULE-8678870483;2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile;2-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylthio]-4-(trifluoromethyl)-5,6,7, 8-tetrahydroquinoline-3-carbonitrile;2-{[(6-ethyl-7-hydroxy-2-oxo-2H-chromen-4-yl)methyl]sulfanyl}-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
InChi InChI=1S/C23H19F3N2O3S/c1-2-12-7-15-13(8-20(30)31-19(15)9-18(12)29)11-32-22-16(10-27)21(23(24,25)26)14-5-3-4-6-17(14)28-22/h7-9,29H,2-6,11H2,1H3
Formula C23H19F3N2O3S Molecular Weight 460.47
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Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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