CFam Chemical Families Database
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You are searching for "CFAMM00406898" in compound.

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CFAM Mol ID CFAMM00406898
Family CFFBM11111 Substance-P receptor ligand 1-[[(1R,2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]methyl]piperidine family
Superfamily CFSBM2480 Substance-P receptor and C-C chemokine receptor type 2 Binder Superfamily
Class CFCAD100 Class 100
External ID CHEMBL212644 External Source CHEMBL
PubChem CID 44415436 Functional Category Bioactive
Molecule Name [(1R,2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]methanamine
IUPAC Name [(1R,2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylcyclopentyl]methanamine
Synonyms CHEBI:456911
InChi InChI=1S/C21H21F6NO/c22-20(23,24)16-8-13(9-17(10-16)21(25,26)27)12-29-18-7-6-15(11-28)19(18)14-4-2-1-3-5-14/h1-5,8-10,15,18-19H,6-7,11-12,28H2/t15-,18-,19-/m0/s1
InChiKey STJZDPGWBPFLGF-SNRMKQJTSA-N
Formula C21H21F6NO Molecular Weight 417.39
Cross Link CHEMBL212644
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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