CFam Chemical Families Database
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You are searching for "CFAMM00352232" 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 CFAMM00352232
Family CFFBM3995 Integrin beta-2 and Intercellular adhesion molecule 1 inhibitor 1-[(E)-3-[2,3-dichloro-4-(1-methylindol-5-yl)sulfanylphenyl]prop-2-enoyl]piperidine-4-carboxylic acid family
Superfamily CFSBM2325 Integrin beta-2 and Intercellular adhesion molecule 1 Binder Superfamily 2
Class CFCID477 Class 1827
External ID CHEMBL19390 External Source CHEMBL
PubChem CID 10479728 Functional Category Bioactive
Molecule Name (E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1-ethylindol-7-yl)sulfanylphenyl]prop-2-en-1-one
IUPAC Name (E)-1-(4-acetylpiperazin-1-yl)-3-[3-chloro-4-(1-ethylindol-7-yl)sulfanylphenyl]prop-2-en-1-one
Synonyms CHEBI:122113
InChi InChI=1S/C25H26ClN3O2S/c1-3-27-12-11-20-5-4-6-23(25(20)27)32-22-9-7-19(17-21(22)26)8-10-24(31)29-15-13-28(14-16-29)18(2)30/h4-12,17H,3,13-16H2,1-2H3/b10-8+
InChiKey IBJIONZZKQZZDE-CSKARUKUSA-N
Formula C25H26ClN3O2S Molecular Weight 468.01
Cross Link CHEMBL19390
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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