CFam Chemical Families Database
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You are searching for "CFAMM00425289" in compound.

Total 1 results found.

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 CFAMM00425289
Family CFFBM13951 Serine/threonine-protein kinase Chk1 inhibitor SureCN4300689 family
Superfamily CFSID1772 Serine/threonine-protein kinase Chk1 Inhibitor 6-(3-aminopropyl)benzo[h]isoquinolin-1(2h)-one Superfamily
Class CFCID1113 Class 2463
External ID CHEMBL449818 External Source CHEMBL
PubChem CID 42626062 Functional Category Bioactive
Molecule Name SureCN3564443
IUPAC Name (4Z)-6-bromo-4-[[(2-oxo-1H-pyridin-4-yl)methylamino]methylidene]isoquinoline-1,3-dione
Synonyms CHEBI:599061
InChi InChI=1S/C16H12BrN3O3/c17-10-1-2-11-12(6-10)13(16(23)20-15(11)22)8-18-7-9-3-4-19-14(21)5-9/h1-6,8,18H,7H2,(H,19,21)(H,20,22,23)/b13-8-
InChiKey KNLWYIRZXSLIMT-JYRVWZFOSA-N
Formula C16H12BrN3O3 Molecular Weight 374.19
Cross Link CHEMBL449818
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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