CFam Chemical Families Database
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You are searching for "CFAMM00270736" in compound.

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CFAM Mol ID CFAMM00270736
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 CHEMBL496594 External Source CHEMBL
PubChem CID 11584834 Functional Category Bioactive
Molecule Name 915365-57-0
IUPAC Name 6-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methylamino]-8-chloro-4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile
Synonyms 6-[[[1-[2-(AZEPAN-1-YL)ETHYL]-1H-1,2,3-TRIAZOL-4-YL]METHYL]AMINO]-8-CHLORO-4-[(3-CHLORO-4-FLUOROPHENYL)AMINO]QUINOLINE-3-CARBONITRILE;Cot inhibitor-1;AGN-PC-00C3K2;Cot inhibitor-1|915365-57-0;HY-32015;W-5555;substituted 6-aminoquinoline-3-carbonitrile, 28
InChi InChI=1S/C27H27Cl2FN8/c28-23-12-19(5-6-25(23)30)34-26-18(14-31)15-33-27-22(26)11-20(13-24(27)29)32-16-21-17-38(36-35-21)10-9-37-7-3-1-2-4-8-37/h5-6,11-13,15,17,32H,1-4,7-10,16H2,(H,33,34)
InChiKey ZWFKJFUFYPOTKL-UHFFFAOYSA-N
Formula C27H27Cl2FN8 Molecular Weight 553.46
Cross Link CHEMBL496594
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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