CFam Chemical Families Database
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You are searching for "CFAMM00226088" in compound.

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CFAM Mol ID CFAMM00226088
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 CHEMBL261511 External Source CHEMBL
PubChem CID 10247897 Functional Category Bioactive
Molecule Name 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
IUPAC Name 5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile
Synonyms SureCN3450051
InChi InChI=1S/C22H25N5/c1-22(2,3)16-25-21-18(14-24-20(13-23)26-21)9-6-11-27-12-10-17-7-4-5-8-19(17)15-27/h4-5,7-8,14H,10-12,15-16H2,1-3H3,(H,24,25,26)
InChiKey NJKBASVLBVUNMW-UHFFFAOYSA-N
Formula C22H25N5 Molecular Weight 359.47
Cross Link CHEMBL261511
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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