CFam Chemical Families Database
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You are searching for "CFAMM00226087" 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 CFAMM00226087
Family CFFID1047 Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine-2,3-diamine Family
Superfamily CFSID854 Beta-secretase 1 and Serine/threonine-protein kinase B-raf Binder Superfamily
Class CFCAD144 Class 144
External ID CHEMBL207780 External Source CHEMBL
PubChem CID 21866580 Functional Category Bioactive
Molecule Name SureCN5966386
IUPAC Name 6-[[cyclohexylmethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2,3-dimethylphenyl)pyridin-2-amine
Synonyms AGN-PC-03GW58;CHEBI:447073;6-[[cyclohexylmethyl-[[2-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(2,3-dimethylphenyl)pyridin-2-amine
InChi InChI=1S/C29H34F3N3/c1-21-10-8-16-27(22(21)2)34-28-17-9-14-25(33-28)20-35(18-23-11-4-3-5-12-23)19-24-13-6-7-15-26(24)29(30,31)32/h6-10,13-17,23H,3-5,11-12,18-20H2,1-2H3,(H,33,34)
InChiKey CKGSWJQEGHYAHM-UHFFFAOYSA-N
Formula C29H34F3N3 Molecular Weight 481.60
Cross Link CHEMBL207780
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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