CFam Chemical Families Database
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You are searching for "CFAMM00415624" in compound.

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CFAM Mol ID CFAMM00415624
Family CFFBM12414 Receptor tyrosine-protein kinase erbB-2 ligand SureCN4463897 family
Superfamily CFSCD200 Receptor tyrosine-protein kinase erbB-2 Inhibitor CP-724714 Superfamily
Class CFCCD37 Class 850
External ID CHEMBL411192 External Source CHEMBL
PubChem CID 44426279 Functional Category Bioactive
Molecule Name SureCN4463897
IUPAC Name 3,3-dimethyl-1-[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]butan-1-one
Synonyms AGN-PC-0766F2;CHEBI:484916;3,3-dimethyl-1-[4-[2-methyl-4-[(6-morpholin-4-ylpyrido[3,4-d]pyrimidin-4-yl)amino]phenoxy]piperidin-1-yl]butan-1-one
InChi InChI=1S/C29H38N6O3/c1-20-15-21(5-6-25(20)38-22-7-9-35(10-8-22)27(36)17-29(2,3)4)33-28-23-16-26(34-11-13-37-14-12-34)30-18-24(23)31-19-32-28/h5-6,15-16,18-19,22H,7-14,17H2,1-4H3,(H,31,32,33)
InChiKey CXWGFZRBLKUTRZ-UHFFFAOYSA-N
Formula C29H38N6O3 Molecular Weight 518.65
Cross Link CHEMBL411192
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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