CFam Chemical Families Database
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You are searching for "CFAMM00432837" in compound.

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CFAM Mol ID CFAMM00432837
Family CFFBM15207 Substance-P receptor ligand methyl 2-[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetate family
Superfamily CFSBM6538 Substance-P receptor ligand methyl 2-[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetate Superfamily
Class CFCID1194 Class 2544
External ID CHEMBL300856 External Source CHEMBL
PubChem CID 10648288 Functional Category Bioactive
Molecule Name methyl 2-[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetate
IUPAC Name methyl 2-[(2S,3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholin-4-yl]acetate
Synonyms CHEBI:175712
InChi InChI=1S/C22H21F6NO4/c1-31-18(30)12-29-7-8-32-20(19(29)15-5-3-2-4-6-15)33-13-14-9-16(21(23,24)25)11-17(10-14)22(26,27)28/h2-6,9-11,19-20H,7-8,12-13H2,1H3/t19-,20+/m0/s1
InChiKey HKQKWZAMVUVBGL-VQTJNVASSA-N
Formula C22H21F6NO4 Molecular Weight 477.40
Cross Link CHEMBL300856
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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