CFam Chemical Families Database
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You are searching for "CFAMM00429751" in compound.

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CFAM Mol ID CFAMM00429751
Family CFFBM14693 Substance-K receptor and Neuromedin-K receptor ligand 1-benzyl-5-(3,4-dichlorophenyl)-5-[3-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propyl]piperidin-2-one family
Superfamily CFSBM1127 Sodium-dependent serotonin transporter and Prothrombin Binder Superfamily
Class CFCBM432 Class 3482
External ID CHEMBL445357 External Source CHEMBL
PubChem CID 44297293 Functional Category Bioactive
Molecule Name (2R)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-one
IUPAC Name (2R)-2-(benzylamino)-3-[(3,4-dichlorophenyl)methylsulfanyl]-1-(1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-one
Synonyms CHEBI:181548
InChi InChI=1S/C30H33Cl2N3O3S2/c1-40(37,38)35-21-30(24-9-5-6-10-28(24)35)13-15-34(16-14-30)29(36)27(33-18-22-7-3-2-4-8-22)20-39-19-23-11-12-25(31)26(32)17-23/h2-12,17,27,33H,13-16,18-21H2,1H3/t27-/m0/s1
InChiKey AIQHFECKTSSXEZ-MHZLTWQESA-N
Formula C30H33Cl2N3O3S2 Molecular Weight 618.64
Cross Link CHEMBL445357
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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