CFam Chemical Families Database
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You are searching for "CFAMM00309639" in compound.

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CFAM Mol ID CFAMM00309639
Family CFFBM263 C-C chemokine receptor type 5 ligand AC1LAJBP family
Superfamily CFSBM162 5-hydroxytryptamine receptor 6 and Cytochrome P450 3A4 Binder Superfamily
Class CFCCD54 Class 867
External ID CHEMBL107170 External Source CHEMBL
PubChem CID 489314 Functional Category Bioactive
Molecule Name AC1LAJC7
IUPAC Name 2-[5-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]pyridine
Synonyms CTK7I1984;CHEBI:274686;AG-K-56509;2-(5-{[(3s,4s)-3-phenyl-4-{[4-(3-phenylpropyl)piperidin-1-yl]methyl}pyrrolidin-1-yl]sulfonyl}thiophen-2-yl)pyridine;2-[5-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]sulfonylthiophen-2-yl]pyridine;Pyridine, 2-[5-[[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)-1-piperidinyl]methyl]-1-pyrrolidinyl]sulfonyl]-2-thienyl]-
InChi InChI=1S/C34H39N3O2S2/c38-41(39,34-18-17-33(40-34)32-16-7-8-21-35-32)37-25-30(31(26-37)29-14-5-2-6-15-29)24-36-22-19-28(20-23-36)13-9-12-27-10-3-1-4-11-27/h1-8,10-11,14-18,21,28,30-31H,9,12-13,19-20,22-26H2/t30-,31+/m0/s1
InChiKey IMKUHYXVQQEXJP-IOWSJCHKSA-N
Formula C34H39N3O2S2 Molecular Weight 585.82
Cross Link CHEMBL107170
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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