CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00460077" in compound.

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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 CFAMM00460077
Family CFFBM21583 Gamma-aminobutyric acid receptor subunit pi and GABA theta subunit ligand SureCN6991071 family
Superfamily CFSAD247 Muscarinic acetylcholine receptor Ligand Flutropium Bromide Superfamily
Class CFCAD237 Class 237
External ID CHEMBL138775 External Source CHEMBL
PubChem CID 9819835 Functional Category Bioactive
Molecule Name SureCN6991071
IUPAC Name benzyl (1R)-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Synonyms CHEBI:326961
InChi InChI=1S/C21H21NO4/c23-19-11-10-18(26-19)20-17-9-5-4-8-16(17)12-13-22(20)21(24)25-14-15-6-2-1-3-7-15/h1-9,18,20H,10-14H2/t18-,20-/m1/s1
InChiKey FVDMDGICJYHMRB-UYAOXDASSA-N
Formula C21H21NO4 Molecular Weight 351.40
Cross Link CHEMBL138775
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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