CFAM Mol ID	CFAMM00521252
Family	CFFBM43179 Aldo-keto reductase family 1 member B10 and Aldose reductase inhibitor 2-[2-[(4-bromophenyl)methyl]-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid family
Superfamily	CFSBM2651 Aldose reductase and Cellular tumor antigen p53 Binder Superfamily
Class	CFCBM160 Class 3210
External ID	CHEMBL1944852	External Source	CHEMBL
PubChem CID	53373331	Functional Category	Bioactive
Molecule Name	2-[2-[(4-bromo-2-fluorophenyl)methyl]-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid
IUPAC Name	2-[2-[(4-bromo-2-fluorophenyl)methyl]-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid
Synonyms	AGN-PC-09RKTC;2-[2-[(4-bromo-2-fluorophenyl)methyl]-1-sulfanylidene-3,4-dihydropyrido[3,4-b]indol-9-yl]acetic acid
InChi	InChI=1S/C20H16BrFN2O2S/c21-13-6-5-12(16(22)9-13)10-23-8-7-15-14-3-1-2-4-17(14)24(11-18(25)26)19(15)20(23)27/h1-6,9H,7-8,10-11H2,(H,25,26)
InChiKey	CSMLGOZZPAXDFO-UHFFFAOYSA-N
Formula	C20H16BrFN2O2S	Molecular Weight	447.32
Cross Link	CHEMBL1944852
Structure

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).

Last update by

2014.08.29

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

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