CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00218549" 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 CFAMM00218549
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 CHEMBL93537 External Source CHEMBL
PubChem CID 5328974 Functional Category Bioactive
Molecule Name 4-anilinoquinazoline deriv. 16i
IUPAC Name (E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholin-4-ylbut-2-enamide
Synonyms AC1NS5RV;(E)-N-[4-(3-bromoanilino)quinazolin-6-yl]-4-thiomorpholin-4-ylbut-2-enamide
InChi InChI=1S/C22H22BrN5OS/c23-16-3-1-4-17(13-16)27-22-19-14-18(6-7-20(19)24-15-25-22)26-21(29)5-2-8-28-9-11-30-12-10-28/h1-7,13-15H,8-12H2,(H,26,29)(H,24,25,27)/b5-2+
InChiKey WFWOGZGJIURUFA-GORDUTHDSA-N
Formula C22H22BrN5OS Molecular Weight 484.41
Cross Link CHEMBL93537
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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