CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00407520" 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 CFAMM00407520
Family CFFBM11205 Substance-P receptor ligand (3S)-3-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-10-phenyl-1-oxa-9-azaspiro[4.5]decane family
Superfamily CFSBM5412 Substance-P receptor Binder Superfamily 6
Class CFCCD435 Class 1248
External ID 54506836 External Source PubChem
PubChem CID 54506836 Functional Category Patent Compound
Molecule Name SureCN8654899
IUPAC Name (3R,5R)-3-[2-methoxy-5-[2-(trifluoromethyl)imidazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]decane
Synonyms
InChi InChI=1S/C19H22F3N3O2/c1-26-16-4-3-14(25-8-7-24-17(25)19(20,21)22)9-15(16)13-10-18(27-11-13)5-2-6-23-12-18/h3-4,7-9,13,23H,2,5-6,10-12H2,1H3/t13-,18+/m0/s1
InChiKey YGIBCMOGYZWTTI-SCLBCKFNSA-N
Formula C19H22F3N3O2 Molecular Weight 381.39
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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