CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00429750" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

Search Results

CFAM Mol ID CFAMM00429750
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 18392656 External Source PubChem
PubChem CID 18392656 Functional Category Patent Compound
Molecule Name SureCN8067295
IUPAC Name N-[(2S)-2-(3,4-dichlorophenyl)-4-(5-fluoro-1-methylsulfonylspiro[2H-indole-3,4'-piperidine]-1'-yl)butyl]-N,3,5-trimethylbenzamide
Synonyms
InChi InChI=1S/C33H38Cl2FN3O3S/c1-22-15-23(2)17-26(16-22)32(40)37(3)20-25(24-5-7-29(34)30(35)18-24)9-12-38-13-10-33(11-14-38)21-39(43(4,41)42)31-8-6-27(36)19-28(31)33/h5-8,15-19,25H,9-14,20-21H2,1-4H3/t25-/m1/s1
InChiKey TWRHYLBBRDESAL-RUZDIDTESA-N
Formula C33H38Cl2FN3O3S Molecular Weight 646.64
Cross Link
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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