CFam Chemical Families Database
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You are searching for "CFAMM00379062" in compound.

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CFAM Mol ID CFAMM00379062
Family CFFBM7316 Inhibitor of nuclear factor kappa-B kinase subunit beta inhibitor AGN-PC-09QK9K family
Superfamily CFSBM4112 Binder Superfamily 10
Class CFCCD240 Class 1053
External ID CHEMBL1669600 External Source CHEMBL
PubChem CID 53319546 Functional Category Bioactive
Molecule Name AGN-PC-09QIJX
IUPAC Name 8-[[5-chloro-2-[4-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
Synonyms CHEBI:1168577;8-[[5-chloro-2-[4-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]methyl]piperazin-1-yl]pyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
InChi InChI=1S/C35H34ClFN10O3/c1-39-31(48)20-46-19-21(16-41-46)18-44-10-12-45(13-11-44)30-15-28(29(36)17-40-30)35(50)42-24-6-2-22-3-9-26-32(34(38)49)43-47(33(26)27(22)14-24)25-7-4-23(37)5-8-25/h2,4-8,14-17,19H,3,9-13,18,20H2,1H3,(H2,38,49)(H,39,48)(H,42,50)
InChiKey QMYHDDOAZHTSGO-UHFFFAOYSA-N
Formula C35H34ClFN10O3 Molecular Weight 697.16
Cross Link CHEMBL1669600
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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