CFam Chemical Families Database
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You are searching for "CFAMM00387155" in compound.

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CFAM Mol ID CFAMM00387155
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 CHEMBL180274 External Source CHEMBL
PubChem CID 5275842 Functional Category Bioactive
Molecule Name AC1NQNK3
IUPAC Name N-methyl-N-[(2S)-2-methyl-4-[1-[(4-nitrophenyl)methyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-phenylbutyl]benzenesulfonamide
Synonyms CHEBI:400692;N-methyl-N-[(2S)-2-methyl-4-[1-[(4-nitrophenyl)methyl]-2-oxo-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-6-yl]-2-phenylbutyl]benzenesulfonamide
InChi InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/m1/s1
InChiKey IEDCJTYQQDVHAW-QOKKUKAESA-N
Formula C33H40N4O5S Molecular Weight 604.76
Cross Link CHEMBL180274
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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