CFam Chemical Families Database
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You are searching for "CFAMM00403346" 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 CFAMM00403346
Family CFFBM10627 Serine/threonine-protein kinase Chk1 inhibitor SureCN6387344 family
Superfamily CFSBM4198 Thymidylate synthase and DNA polymerase beta Binder Superfamily
Class CFCCD118 Class 931
External ID CHEMBL209256 External Source CHEMBL
PubChem CID 44411795 Functional Category Bioactive
Molecule Name 4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-5,6-dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one
IUPAC Name 4-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]amino]-5,6-dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)quinolin-2-one
Synonyms CHEBI:447991
InChi InChI=1S/C23H21Cl2N5O/c24-13-5-6-16-18(20(13)25)21(26-17-11-30-9-7-12(17)8-10-30)19(23(31)29-16)22-27-14-3-1-2-4-15(14)28-22/h1-6,12,17H,7-11H2,(H,27,28)(H2,26,29,31)/t17-/m1/s1
InChiKey HGIMWJDEACPWKP-QGZVFWFLSA-N
Formula C23H21Cl2N5O Molecular Weight 454.35
Cross Link CHEMBL209256
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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