CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00012678" 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.

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CFAM Mol ID CFAMM00012678
Family CFFAD64 D(2) dopamine receptor and D(3) dopamine receptor ligand indoline derivative Ropinirole family
Superfamily CFSAD63 D(2) dopamine receptor and D(3) dopamine receptor ligand indoline derivative Ropinirole Superfamily
Class CFCAD63 Class 63
External ID CHEMBL199248 External Source CHEMBL
PubChem CID 44404652 Functional Category Bioactive
Molecule Name AGN-PC-075XPS
IUPAC Name 1'-(cyclooctylmethyl)spiro[1H-indole-3,4'-piperidine]-2-one
Synonyms SureCN13480026;CHEBI:430778;Spiro[3H-indole-3,4'-piperidin]-2(1H)-one, 1'-(cyclooctylmethyl)-
InChi InChI=1S/C21H30N2O/c24-20-21(18-10-6-7-11-19(18)22-20)12-14-23(15-13-21)16-17-8-4-2-1-3-5-9-17/h6-7,10-11,17H,1-5,8-9,12-16H2,(H,22,24)
InChiKey DEUFHYFPEZZSNA-UHFFFAOYSA-N
Formula C21H30N2O Molecular Weight 326.48
Cross Link CHEMBL199248
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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