CFam Chemical Families Database
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You are searching for "CFAMM00399096" in compound.

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CFAM Mol ID CFAMM00399096
Family CFFBM10027 Mitogen-activated protein kinase 14 inhibitor AGN-PC-044QVV family
Superfamily CFSBM5030 Mitogen-activated protein kinase 14 Binder Superfamily 7
Class CFCBM1168 Class 4218
External ID CHEMBL200534 External Source CHEMBL
PubChem CID 44405934 Functional Category Bioactive
Molecule Name AGN-PC-075YJ1
IUPAC Name 7-(1-tert-butylpiperidin-4-yl)oxy-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
Synonyms CHEBI:434035;7-(1-tert-butylpiperidin-4-yl)oxy-5-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)quinolin-2-one
InChi InChI=1S/C30H28F4N2O2/c1-30(2,3)35-13-11-19(12-14-35)38-20-16-23(21-8-7-18(31)15-26(21)34)22-9-10-28(37)36(27(22)17-20)29-24(32)5-4-6-25(29)33/h4-10,15-17,19H,11-14H2,1-3H3
InChiKey QDXFCQVYWUZMOP-UHFFFAOYSA-N
Formula C30H28F4N2O2 Molecular Weight 524.55
Cross Link CHEMBL200534
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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