CFam Chemical Families Database
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You are searching for "CFAMM00088945" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00088945
Family CFFAD612 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Lapatinib Family
Superfamily CFSAD523 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor Lapatinib Superfamily
Class CFCAD481 Class 481
External ID CHEMBL2437232 External Source CHEMBL
PubChem CID 73347998 Functional Category Bioactive
Molecule Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]furan-2-yl]quinazolin-4-amine;1-methyl-4-methylsulfonylbenzene
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[(4-methylsulfonylpiperazin-1-yl)methyl]furan-2-yl]quinazolin-4-amine;1-methyl-4-methylsulfonylbenzene
Synonyms
InChi InChI=1S/C31H29ClFN5O4S.C8H10O2S/c1-43(39,40)38-13-11-37(12-14-38)18-25-7-10-29(42-25)22-5-8-28-26(16-22)31(35-20-34-28)36-24-6-9-30(27(32)17-24)41-19-21-3-2-4-23(33)15-21;1-7-3-5-8(6-4-7)11(2,9)10/h2-10,15-17,20H,11-14,18-19H2,1H3,(H,34,35,36);3-6H,1-2H3
InChiKey FLDXYLNUZXEPMC-UHFFFAOYSA-N
Formula C39H39ClFN5O6S2 Molecular Weight 792.34
Cross Link CHEMBL2437232
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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