CFam Chemical Families Database
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You are searching for "CFAMM00411453" in compound.

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CFAM Mol ID CFAMM00411453
Family CFFBM11727 ALK tyrosine kinase receptor ligand 4-fluoro-N-[6-(piperidin-1-ylmethyl)-1-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-2-yl]benzamide family
Superfamily CFSBM1011 ALK tyrosine kinase receptor and Histone deacetylase 1 Binder Superfamily
Class CFCCD137 Class 950
External ID CHEMBL2172306 External Source CHEMBL
PubChem CID 60195733 Functional Category Bioactive
Molecule Name 1-[[2-[(4-fluorobenzoyl)amino]-3-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-5-yl]methyl]piperidine-4-carboxamide
IUPAC Name 1-[[2-[(4-fluorobenzoyl)amino]-3-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-5-yl]methyl]piperidine-4-carboxamide
Synonyms AGN-PC-0DB7CF;SureCN573562;SureCN573563;SureCN573564;SureCN573565;1-[[2-[(4-fluorobenzoyl)amino]-3-[4-(propan-2-ylcarbamoyl)cyclohexyl]benzimidazol-5-yl]methyl]piperidine-4-carboxamide
InChi InChI=1S/C31H39FN6O3/c1-19(2)34-29(40)23-6-10-25(11-7-23)38-27-17-20(18-37-15-13-21(14-16-37)28(33)39)3-12-26(27)35-31(38)36-30(41)22-4-8-24(32)9-5-22/h3-5,8-9,12,17,19,21,23,25H,6-7,10-11,13-16,18H2,1-2H3,(H2,33,39)(H,34,40)(H,35,36,41)/t23-,25+
InChiKey JEOWLAWZNDXECM-GUOBSTCESA-N
Formula C31H39FN6O3 Molecular Weight 562.68
Cross Link CHEMBL2172306
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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