CFam Chemical Families Database
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You are searching for "CFAMM00380099" in compound.

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CFAM Mol ID CFAMM00380099
Family CFFBM7445 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 ligand N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-[4-[(dimethylamino)methyl]phenyl]ethynyl]-6-methylpyrimidin-4-amine family
Superfamily CFSBM3769 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Binder Superfamily
Class CFCID1605 Class 2955
External ID CHEMBL461113 External Source CHEMBL
PubChem CID 25271179 Functional Category Bioactive
Molecule Name SureCN4083739
IUPAC Name 2-morpholin-4-ylethyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
Synonyms AGN-PC-0510DJ;CHEBI:551548;2-morpholin-4-ylethyl 4-amino-6-(3-chloro-4-phenylmethoxyanilino)pyrimidine-5-carboxylate
InChi InChI=1S/C24H26ClN5O4/c25-19-14-18(6-7-20(19)34-15-17-4-2-1-3-5-17)29-23-21(22(26)27-16-28-23)24(31)33-13-10-30-8-11-32-12-9-30/h1-7,14,16H,8-13,15H2,(H3,26,27,28,29)
InChiKey KTEDMAIKTUKLAP-UHFFFAOYSA-N
Formula C24H26ClN5O4 Molecular Weight 483.95
Cross Link CHEMBL461113
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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