CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00088980" 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 CFAMM00088980
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 CHEMBL1630113 External Source CHEMBL
PubChem CID 49855761 Functional Category Bioactive
Molecule Name SureCN4077722
IUPAC Name (E)-N-(2-aminophenyl)-3-[5-[4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazolin-6-yl]furan-2-yl]prop-2-enamide
Synonyms CHEBI:1151990
InChi InChI=1S/C34H25ClFN5O3/c35-27-18-24(9-13-32(27)43-19-21-4-3-5-23(36)16-21)40-34-26-17-22(8-12-29(26)38-20-39-34)31-14-10-25(44-31)11-15-33(42)41-30-7-2-1-6-28(30)37/h1-18,20H,19,37H2,(H,41,42)(H,38,39,40)/b15-11+
InChiKey IBUAKKIEDFKTKJ-RVDMUPIBSA-N
Formula C34H25ClFN5O3 Molecular Weight 606.05
Cross Link CHEMBL1630113
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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