CFam Chemical Families Database
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You are searching for "CFAMM00088982" in compound.

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CFAM Mol ID CFAMM00088982
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 CHEMBL2437227 External Source CHEMBL
PubChem CID 73351100 Functional Category Bioactive
Molecule Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[2-(2,2,2-trifluoroethylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
IUPAC Name N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[5-[[2-(2,2,2-trifluoroethylsulfonyl)ethylamino]methyl]furan-2-yl]quinazolin-4-amine;4-methylbenzenesulfonic acid
Synonyms
InChi InChI=1S/C30H25ClF4N4O4S.C7H8O3S/c31-25-14-22(5-8-28(25)42-16-19-2-1-3-21(32)12-19)39-29-24-13-20(4-7-26(24)37-18-38-29)27-9-6-23(43-27)15-36-10-11-44(40,41)17-30(33,34)35;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,12-14,18,36H,10-11,15-17H2,(H,37,38,39);2-5H,1H3,(H,8,9,10)
InChiKey FQPKSGAZXOUBHL-UHFFFAOYSA-N
Formula C37H33ClF4N4O7S2 Molecular Weight 821.26
Cross Link CHEMBL2437227
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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