CFam Chemical Families Database
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You are searching for "CFAMM00485931" in compound.

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CFAM Mol ID CFAMM00485931
Family CFFBM28554 Receptor tyrosine-protein kinase erbB-2 and Insulin-like growth factor 1 receptor ligand AGN-PC-050GRY family
Superfamily CFSBM5398 Cyclin-dependent kinase 1 and Receptor tyrosine-protein kinase erbB-2 Binder Superfamily
Class CFCCD42 Class 855
External ID CHEMBL437584 External Source CHEMBL
PubChem CID 25218687 Functional Category Bioactive
Molecule Name AGN-PC-050GRU
IUPAC Name 3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms SureCN2969406;SureCN2969408;substituted benzimidazole, 9;CHEBI:513427;3-[2-[(2-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-4-amine
InChi InChI=1S/C30H34N8O2/c1-39-25-5-3-2-4-19(25)17-26-34-23-11-6-20(16-24(23)35-26)28-27-29(31)32-18-33-30(27)38(36-28)22-9-7-21(8-10-22)37-12-14-40-15-13-37/h2-6,11,16,18,21-22H,7-10,12-15,17H2,1H3,(H,34,35)(H2,31,32,33)/t21-,22-
InChiKey YETDQFJRLHRQJD-HZCBDIJESA-N
Formula C30H34N8O2 Molecular Weight 538.64
Cross Link CHEMBL437584
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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