CFam Chemical Families Database
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You are searching for "CFAMM00242622" in compound.

Total 1 results found.

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 CFAMM00242622
Family CFFID1552 Epidermal growth factor receptor Ligand N4-(3-chlorophenyl)quinazoline-4,6-diamine Family
Superfamily CFSID700 Epidermal growth factor receptor and Peptide deformylase, mitochondrial Binder Superfamily
Class CFCAD343 Class 343
External ID CHEMBL377030 External Source CHEMBL
PubChem CID 44412547 Functional Category Bioactive
Molecule Name AGN-PC-0762QS
IUPAC Name 3-(2-chloro-6-methylphenyl)-1-[6-[4-(diethylamino)anilino]pyrimidin-4-yl]-1-[3-(dimethylamino)propyl]urea
Synonyms CHEBI:450196;3-(2-chloro-6-methylphenyl)-1-[6-[4-(diethylamino)anilino]pyrimidin-4-yl]-1-[3-(dimethylamino)propyl]urea
InChi InChI=1S/C27H36ClN7O/c1-6-34(7-2)22-14-12-21(13-15-22)31-24-18-25(30-19-29-24)35(17-9-16-33(4)5)27(36)32-26-20(3)10-8-11-23(26)28/h8,10-15,18-19H,6-7,9,16-17H2,1-5H3,(H,32,36)(H,29,30,31)
InChiKey XIFDWULJBGHZEO-UHFFFAOYSA-N
Formula C27H36ClN7O Molecular Weight 510.07
Cross Link CHEMBL377030
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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