CFam Chemical Families Database
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You are searching for "CFAMM00144317" 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 CFAMM00144317
Family CFFCD222 Receptor tyrosine-protein kinase erbB-2 Inhibitor CP-724714 Family
Superfamily CFSCD200 Receptor tyrosine-protein kinase erbB-2 Inhibitor CP-724714 Superfamily
Class CFCCD37 Class 850
External ID CHEMBL228627 External Source CHEMBL
PubChem CID 44426266 Functional Category Bioactive
Molecule Name AGN-PC-0766EP
IUPAC Name 3-[4-[[6-[3-[(2-methoxyacetyl)amino]prop-1-ynyl]quinazolin-4-yl]amino]-2-methylphenoxy]-N-phenylbenzamide
Synonyms CHEBI:484901;3-[4-[[6-[3-[(2-methoxyacetyl)amino]prop-1-ynyl]quinazolin-4-yl]amino]-2-methylphenoxy]-N-phenylbenzamide
InChi InChI=1S/C34H29N5O4/c1-23-18-27(14-16-31(23)43-28-12-6-9-25(20-28)34(41)39-26-10-4-3-5-11-26)38-33-29-19-24(13-15-30(29)36-22-37-33)8-7-17-35-32(40)21-42-2/h3-6,9-16,18-20,22H,17,21H2,1-2H3,(H,35,40)(H,39,41)(H,36,37,38)
InChiKey AIKCGGJZJKSMHT-UHFFFAOYSA-N
Formula C34H29N5O4 Molecular Weight 571.63
Cross Link CHEMBL228627
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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