CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00218680" 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 CFAMM00218680
Family CFFID770 Epidermal growth factor receptor and Receptor tyrosine-protein kinase erbB-2 Inhibitor PD-168393 Family
Superfamily CFSID630 Epidermal growth factor receptor and Metabotropic glutamate receptor 5 Binder Superfamily
Class CFCAD202 Class 202
External ID CHEMBL93734 External Source CHEMBL
PubChem CID 5328217 Functional Category Bioactive
Molecule Name PD153035 Analog 51
IUPAC Name N-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamide
Synonyms AC1NS41G;SureCN7216285;CTK0E5091;N-[4-(3-bromoanilino)-6-nitroquinazolin-7-yl]acetamide;Acetamide, N-[4-[(3-bromophenyl)amino]-6-nitro-7-quinazolinyl]-;169205-91-8
InChi InChI=1S/C16H12BrN5O3/c1-9(23)20-14-7-13-12(6-15(14)22(24)25)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-8H,1H3,(H,20,23)(H,18,19,21)
InChiKey DZUKQELTOOTLPR-UHFFFAOYSA-N
Formula C16H12BrN5O3 Molecular Weight 402.20
Cross Link CHEMBL93734
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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