CFam Chemical Families Database
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You are searching for "CFAMM00387159" in compound.

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CFAM Mol ID CFAMM00387159
Family CFFBM8327 C-C chemokine receptor type 5 ligand N-[1-[(3R)-4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-2-(4-nitrophenyl)-N-prop-2-enylacetamide family
Superfamily CFSBM4482 Neuropeptide Y receptor type 5 and Prothrombin Binder Superfamily 2
Class CFCBM431 Class 3481
External ID CHEMBL83113 External Source CHEMBL
PubChem CID 478447 Functional Category Bioactive
Molecule Name AC1L9YPP
IUPAC Name 1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-[(1S)-1-phenylethyl]-1-propylurea
Synonyms CHEBI:232451;1-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenylbutyl]piperidin-4-yl]-3-[(1S)-1-phenylethyl]-1-propylurea;Benzenesulfonamide, N-methyl-N-[2-phenyl-4-[4-[[[[(1S)-1-phenylethyl]amino]carbonyl]propylamino]-1-piperidinyl]butyl]-
InChi InChI=1S/C34H46N4O3S/c1-4-23-38(34(39)35-28(2)29-14-8-5-9-15-29)32-21-25-37(26-22-32)24-20-31(30-16-10-6-11-17-30)27-36(3)42(40,41)33-18-12-7-13-19-33/h5-19,28,31-32H,4,20-27H2,1-3H3,(H,35,39)/t28-,31?/m0/s1
InChiKey ULYSBKOLJAVXSU-NPHAVVRNSA-N
Formula C34H46N4O3S Molecular Weight 590.82
Cross Link CHEMBL83113
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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