CFam Chemical Families Database
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You are searching for "CFAMM00380094" in compound.

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CFAM Mol ID CFAMM00380094
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 CHEMBL206782 External Source CHEMBL
PubChem CID 44410716 Functional Category Bioactive
Molecule Name methyl 5-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]anilino]-5-oxopentanoate
IUPAC Name methyl 5-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]anilino]-5-oxopentanoate
Synonyms AGN-PC-0761K3;CHEBI:445951;methyl 5-[3-[2-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]pyrimidin-5-yl]ethynyl]anilino]-5-oxopentanoate
InChi InChI=1S/C31H26ClFN4O4/c1-40-30(39)10-4-9-29(38)36-25-8-3-5-21(16-25)11-12-23-18-34-20-35-31(23)37-26-13-14-28(27(32)17-26)41-19-22-6-2-7-24(33)15-22/h2-3,5-8,13-18,20H,4,9-10,19H2,1H3,(H,36,38)(H,34,35,37)
Formula C31H26ClFN4O4 Molecular Weight 573.01
Cross Link CHEMBL206782

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).

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