CFam Chemical Families Database
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You are searching for "CFAMM00426852" in compound.

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CFAM Mol ID CFAMM00426852
Family CFFBM14183 C-C chemokine receptor type 2 ligand (E)-3-(3,4-dichlorophenyl)-1-[4-[2-hydroxy-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one family
Superfamily CFSBM4402 C-C chemokine receptor type 2 and C-C chemokine receptor type 3 Binder Superfamily
Class CFCBM132 Class 3182
External ID CHEMBL298562 External Source CHEMBL
PubChem CID 44296137 Functional Category Bioactive
Molecule Name TCMDC-139325
IUPAC Name (E)-3-(3,4-dichlorophenyl)-N-[5-[4-[5-(methanesulfonamido)-1H-indol-3-yl]piperidin-1-yl]pentyl]prop-2-enamide
Synonyms CHEBI:178646
InChi InChI=1S/C28H34Cl2N4O3S/c1-38(36,37)33-22-7-9-27-23(18-22)24(19-32-27)21-11-15-34(16-12-21)14-4-2-3-13-31-28(35)10-6-20-5-8-25(29)26(30)17-20/h5-10,17-19,21,32-33H,2-4,11-16H2,1H3,(H,31,35)/b10-6+
InChiKey XBGSRHLGDODGSU-UXBLZVDNSA-N
Formula C28H34Cl2N4O3S Molecular Weight 577.57
Cross Link CHEMBL298562
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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