CFam Chemical Families Database
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You are searching for "CFAMM00334391" in compound.

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CFAM Mol ID CFAMM00334391
Family CFFBM2453 Substance-P receptor ligand N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4,5-dihydro-1,3-oxazol-2-amine family
Superfamily CFSAD255 Substance-P receptor Ligand Aprepitant Superfamily
Class CFCAD244 Class 244
External ID CHEMBL1270465 External Source CHEMBL
PubChem CID 52940937 Functional Category Bioactive
Molecule Name N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4,5-dihydro-1,3-oxazol-2-amine
IUPAC Name N-[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenylpiperidin-3-yl]-4,5-dihydro-1,3-oxazol-2-amine
Synonyms CHEBI:809708
InChi InChI=1S/C25H27F6N3O2/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)36-15-23(18-5-3-2-4-6-18)8-7-21(14-33-23)34-22-32-9-10-35-22/h2-6,11-13,16,21,33H,7-10,14-15H2,1H3,(H,32,34)/t16-,21+,23-/m1/s1
InChiKey RCZBGEWMFPGPIF-XORNHQRDSA-N
Formula C25H27F6N3O2 Molecular Weight 515.49
Cross Link CHEMBL1270465
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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