CFam Chemical Families Database
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You are searching for "CFAMM00451722" in compound.

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CFAM Mol ID CFAMM00451722
Family CFFBM19408 C-C chemokine receptor type 5 ligand AC1NUL23 family
Superfamily CFSBM5000 C-C chemokine receptor type 5 and Cruzipain Binder Superfamily 2
Class CFCID1340 Class 2690
External ID CHEMBL83311 External Source CHEMBL
PubChem CID 5482453 Functional Category Bioactive
Molecule Name AC1NULYH
IUPAC Name N-[(2S)-2-(3-chlorophenyl)-4-(1-oxospiro[2,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
Synonyms CHEBI:230948;11-{(3S)-3-(3-Chlorophenyl)-4-[methyl(phenylsulfonyl)amino]butyl}spiro[2,3,4-trihydroisoquinoline-4,4'-piperidine]-1-one;N-[(2S)-2-(3-chlorophenyl)-4-(1-oxospiro[2,3-dihydroisoquinoline-4,4'-piperidine]-1'-yl)butyl]-N-methylbenzenesulfonamide
InChi InChI=1S/C30H34ClN3O3S/c1-33(38(36,37)26-10-3-2-4-11-26)21-24(23-8-7-9-25(31)20-23)14-17-34-18-15-30(16-19-34)22-32-29(35)27-12-5-6-13-28(27)30/h2-13,20,24H,14-19,21-22H2,1H3,(H,32,35)/t24-/m1/s1
InChiKey YCWXLGCHCDRVJP-XMMPIXPASA-N
Formula C30H34ClN3O3S Molecular Weight 552.13
Cross Link CHEMBL83311
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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