CFam Chemical Families Database
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You are searching for "CFAMM00448157" in compound.

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CFAM Mol ID CFAMM00448157
Family CFFBM18605 Tyrosine-protein kinase Lck inhibitor (3S)-3-[(1S)-1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-hexyl-N-naphthalen-1-ylpiperazine-1-carboxamide family
Superfamily CFSID99 Platelet activating factor, putative Inhibitor ABT-491 Superfamily
Class CFCID68 Class 1418
External ID CHEMBL569496 External Source CHEMBL
PubChem CID 45486793 Functional Category Bioactive
Molecule Name SureCN7873114
IUPAC Name (3S)-3-[(1S)-1-[[4-(benzimidazol-1-yl)pyrimidin-2-yl]amino]ethyl]-4-ethyl-N-naphthalen-1-ylpiperazine-1-carboxamide
Synonyms CHEBI:680689
InChi InChI=1S/C30H32N8O/c1-3-36-17-18-37(30(39)34-24-13-8-10-22-9-4-5-11-23(22)24)19-27(36)21(2)33-29-31-16-15-28(35-29)38-20-32-25-12-6-7-14-26(25)38/h4-16,20-21,27H,3,17-19H2,1-2H3,(H,34,39)(H,31,33,35)/t21-,27-/m0/s1
InChiKey DTOKKKOVUBTZFT-IDISGSTGSA-N
Formula C30H32N8O Molecular Weight 520.63
Cross Link CHEMBL569496
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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