CFam Chemical Families Database
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You are searching for "CFAMM00270710" 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 CFAMM00270710
Family CFFID2557 Mitogen-activated protein kinase kinase kinase 8 and Stromelysin-1 Inhibitor 8-chloro-quinoline-3-carbonitrile Family
Superfamily CFSID1844 Mitogen-activated protein kinase kinase kinase 8 and Stromelysin-1 Inhibitor 8-chloro-quinoline-3-carbonitrile Superfamily
Class CFCID1142 Class 2492
External ID CHEMBL521013 External Source CHEMBL
PubChem CID 44588732 Functional Category Bioactive
Molecule Name SureCN4127053
IUPAC Name 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-[(E)-3-pyrrolidin-1-ylprop-1-enyl]quinoline-3-carbonitrile
Synonyms CHEBI:614112
InChi InChI=1S/C27H25ClN6S/c1-33-14-10-30-27(33)35-25-9-7-21(16-23(25)28)32-26-20(17-29)18-31-24-15-19(6-8-22(24)26)5-4-13-34-11-2-3-12-34/h4-10,14-16,18H,2-3,11-13H2,1H3,(H,31,32)/b5-4+
InChiKey KJIKEFFIRMLEEQ-SNAWJCMRSA-N
Formula C27H25ClN6S Molecular Weight 501.05
Cross Link CHEMBL521013
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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