CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00329074" 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 CFAMM00329074
Family CFFBM1949 Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M5 ligand 3-[1-(4-ethoxy-1-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazole-5-carbonitrile family
Superfamily CFSBM1105 Muscarinic acetylcholine receptor M1 and Muscarinic acetylcholine receptor M3 Binder Superfamily 2
Class CFCCD258 Class 1071
External ID CHEMBL1094763 External Source CHEMBL
PubChem CID 46830123 Functional Category Bioactive
Molecule Name GTPL6321
IUPAC Name 3-[(5S)-5-[(4-tert-butylphenoxy)methyl]-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
Synonyms CHEBI:726387;compound 34 [PMID: 20409708];3-[(5S)-5-(4-tert-butylphenoxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
InChi InChI=1S/C21H22N2O3/c1-21(2,3)16-7-9-18(10-8-16)25-14-19-13-23(20(24)26-19)17-6-4-5-15(11-17)12-22/h4-11,19H,13-14H2,1-3H3/t19-/m0/s1
InChiKey YFJUDGZIRPWFBS-IBGZPJMESA-N
Formula C21H22N2O3 Molecular Weight 350.41
Cross Link CHEMBL1094763
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
 

 

26380 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543

hdnkeywordtype:MiniFieldStorage('hdnkeywordtype', 'compound'),None, hdnkeywordtype, compound|txtsearch:MiniFieldStorage('txtsearch', 'CFAMM00329074'),None, txtsearch, CFAMM00329074|