CFam Chemical Families Database
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You are searching for "CFAMM00407517" 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 CFAMM00407517
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 18782698 External Source PubChem
PubChem CID 18782698 Functional Category Patent Compound
Molecule Name AGN-PC-022FBI
IUPAC Name 9-benzyl-3-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]dec-3-ene
Synonyms SureCN8187924;L017520;9-benzyl-3-[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]-1-oxa-9-azaspiro[4.5]dec-3-ene
InChi InChI=1S/C24H24F3N5O2/c1-33-21-9-8-19(32-22(24(25,26)27)28-29-30-32)12-20(21)18-13-23(34-15-18)10-5-11-31(16-23)14-17-6-3-2-4-7-17/h2-4,6-9,12-13H,5,10-11,14-16H2,1H3
InChiKey SARAKPZAIUBXMH-UHFFFAOYSA-N
Formula C24H24F3N5O2 Molecular Weight 471.47
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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