CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00152652" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00152652
Family CFFCD350 Receptor tyrosine-protein kinase erbB-2 Inhibitor TAK-285 Family
Superfamily CFSCD322 Receptor tyrosine-protein kinase erbB-2 Inhibitor TAK-285 Superfamily
Class CFCCD236 Class 1049
External ID CHEMBL1934625 External Source CHEMBL
PubChem CID 57392588 Functional Category Bioactive
Molecule Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-[4-[(dimethylamino)methyl]phenyl]ethynyl]-6-methylpyrimidin-4-amine
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-[4-[(dimethylamino)methyl]phenyl]ethynyl]-6-methylpyrimidin-4-amine
Synonyms AGN-PC-0BTI5E;N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-5-[2-[4-[(dimethylamino)methyl]phenyl]ethynyl]-6-methylpyrimidin-4-amine
InChi InChI=1S/C29H26ClFN4O/c1-20-26(13-11-21-7-9-22(10-8-21)17-35(2)3)29(33-19-32-20)34-25-12-14-28(27(30)16-25)36-18-23-5-4-6-24(31)15-23/h4-10,12,14-16,19H,17-18H2,1-3H3,(H,32,33,34)
Formula C29H26ClFN4O Molecular Weight 500.99
Cross Link CHEMBL1934625

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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National University of Singapore, Singapore

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