CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00407102" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00407102
Family CFFBM11141 Serine/threonine-protein kinase Chk1 inhibitor 6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-4-[[(3S)-pyrrolidin-3-yl]amino]quinolin-2-one family
Superfamily CFSBM5383 Lysosomal Pro-X carboxypeptidase and Serine/threonine-protein kinase Chk1 Binder Superfamily
Class CFCCD203 Class 1016
External ID CHEMBL210639 External Source CHEMBL
PubChem CID 10453211 Functional Category Bioactive
Molecule Name SureCN6390590
IUPAC Name 6-chloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-4-(piperidin-3-ylamino)quinolin-2-one
Synonyms CHEBI:447935
InChi InChI=1S/C21H20ClN5O/c22-12-7-8-15-14(10-12)19(24-13-4-3-9-23-11-13)18(21(28)27-15)20-25-16-5-1-2-6-17(16)26-20/h1-2,5-8,10,13,23H,3-4,9,11H2,(H,25,26)(H2,24,27,28)
InChiKey NCUZAMDMNQYCTL-UHFFFAOYSA-N
Formula C21H20ClN5O Molecular Weight 393.87
Cross Link CHEMBL210639
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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