CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00436050" 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 CFAMM00436050
Family CFFBM15822 Substance-P receptor ligand (5S,10S)-5-(4-fluorophenyl)-10-(2-methoxy-5-propan-2-ylphenyl)-1,8-dioxa-4-azaspiro[5.5]undecane family
Superfamily CFSCD383 Substance-P receptor Ligand Ezlopitant Superfamily
Class CFCAD120 Class 120
External ID 57062502 External Source PubChem
PubChem CID 57062502 Functional Category Patent Compound
Molecule Name SureCN8161231
IUPAC Name 3-[(3R,5R,10S)-10-phenyl-1-oxa-9-azaspiro[4.5]decan-3-yl]-4-propan-2-yloxybenzonitrile
Synonyms
InChi InChI=1S/C24H28N2O2/c1-17(2)28-22-10-9-18(15-25)13-21(22)20-14-24(27-16-20)11-6-12-26-23(24)19-7-4-3-5-8-19/h3-5,7-10,13,17,20,23,26H,6,11-12,14,16H2,1-2H3/t20-,23-,24+/m0/s1
InChiKey QWVOZFAYZGCUFY-NKKJXINNSA-N
Formula C24H28N2O2 Molecular Weight 376.49
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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