CFam Chemical Families Database
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You are searching for "CFAMM00379025" in compound.

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CFAM Mol ID CFAMM00379025
Family CFFBM7315 Inhibitor of nuclear factor kappa-B kinase subunit beta inhibitor AGN-PC-09QI6K family
Superfamily CFSBM4112 Binder Superfamily 10
Class CFCCD240 Class 1053
External ID CHEMBL591387 External Source CHEMBL
PubChem CID 22291734 Functional Category Bioactive
Molecule Name AGN-PC-03NG1R
IUPAC Name 1-(1,3-benzodioxol-5-yl)-8-[(5-chloro-2-morpholin-4-ylpyridine-4-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
Synonyms SureCN5337384;CHEBI:698209;1-(1,3-benzodioxol-5-yl)-8-[(5-chloro-2-morpholin-4-ylpyridine-4-carbonyl)amino]-4,5-dihydrobenzo[g]indazole-3-carboxamide
InChi InChI=1S/C29H25ClN6O5/c30-22-14-32-25(35-7-9-39-10-8-35)13-21(22)29(38)33-17-3-1-16-2-5-19-26(28(31)37)34-36(27(19)20(16)11-17)18-4-6-23-24(12-18)41-15-40-23/h1,3-4,6,11-14H,2,5,7-10,15H2,(H2,31,37)(H,33,38)
InChiKey JBRVLDMJBIQTFC-UHFFFAOYSA-N
Formula C29H25ClN6O5 Molecular Weight 573.00
Cross Link CHEMBL591387
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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