CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00396279" 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.

Search Results

CFAM Mol ID CFAMM00396279
Family CFFBM9538 Amyloid beta A4 protein and Luciferin 4-monooxygenase inhibitor 4-(1,3-Benzothiazol-2-yl)-N,N-dimethylaniline family
Superfamily CFSBM343 Acetylcholinesterase and Histamine H3 receptor Binder Superfamily
Class CFCBM134 Class 3184
External ID ZINC02367226 External Source ZINC
PubChem CID 944240 Functional Category Natural Product
Molecule Name F3139-1318
IUPAC Name (E)-2-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)prop-2-enenitrile
Synonyms ZINC02367226;AC1LJ4TA;MolPort-000-451-051;STK922644;AKOS002181464;ST50071461;(E)-2-(benzo[d]thiazol-2-yl)-3-(o-tolylamino)acryl;(2E)-2-benzothiazol-2-yl-3-[(2-methylphenyl)amino]prop-2-enenitrile;(E)-2-(1,3-benzothiazol-2-yl)-3-(2-methylanilino)prop-2-enenitrile;(2E)-2-(1,3-benzothiazol-2-yl)-3-[(2-methylphenyl)amino]prop-2-enenitrile
InChi InChI=1S/C17H13N3S/c1-12-6-2-3-7-14(12)19-11-13(10-18)17-20-15-8-4-5-9-16(15)21-17/h2-9,11,19H,1H3/b13-11+
InChiKey IKVYYOCFCLIXQP-ACCUITESSA-N
Formula C17H13N3S Molecular Weight 291.37
Cross Link
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
 

 

27619 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00396279'),None, txtsearch, CFAMM00396279|