CFam Chemical Families Database
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You are searching for "CFAMM00254135" in compound.

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CFAM Mol ID CFAMM00254135
Family CFFID1915 Substance-P receptor Ligand SCH-388714 Family
Superfamily CFSID1451 Substance-P receptor Ligand SCH-388714 Superfamily
Class CFCID939 Class 2289
External ID 18404448 External Source PubChem
PubChem CID 18404448 Functional Category Patent Compound
Molecule Name AGN-PC-01VK0K
IUPAC Name 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)-N-methylcyclopentan-1-amine
Synonyms 3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)-N-methylcyclopentan-1-amine
InChi InChI=1S/C22H22F7NO/c1-12(14-9-15(21(24,25)26)11-16(10-14)22(27,28)29)31-19-8-7-18(30-2)20(19)13-3-5-17(23)6-4-13/h3-6,9-12,18-20,30H,7-8H2,1-2H3
InChiKey BGHSMICSHLUMLM-UHFFFAOYSA-N
Formula C22H22F7NO Molecular Weight 449.41
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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