CFam Chemical Families Database
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You are searching for "CFAMM00414844" in compound.

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CFAM Mol ID CFAMM00414844
Family CFFBM12284 Sodium-dependent noradrenaline transporter and Sodium-dependent serotonin transporter inhibitor (1S,2R)-2-(aminomethyl)-1-(1,3-benzodioxol-5-yl)-N,N-bis(prop-2-enyl)cyclopropane-1-carboxamide family
Superfamily CFSCD364 Substance-P receptor Binder Superfamily
Class CFCAD333 Class 333
External ID CHEMBL225210 External Source CHEMBL
PubChem CID 16040279 Functional Category Bioactive
Molecule Name (4r,5r)-5-Amino-1-[2-(1,3-Benzodioxol-5-Yl)ethyl]-4-(2,4,5-Trifluorophenyl)piperidin-2-One
IUPAC Name (4R,5R)-5-amino-1-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one
Synonyms DB07830;Piperidinone-Constrained Phenethylamine 25;Piperidinone-Constrained Phenethylamine 31;(4R,5R)-5-amino-1-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-4-(2,4,5-trifluorophenyl)piperidin-2-one;GGO
InChi InChI=1S/C20H19F3N2O3/c21-14-8-16(23)15(22)6-12(14)13-7-20(26)25(9-17(13)24)4-3-11-1-2-18-19(5-11)28-10-27-18/h1-2,5-6,8,13,17H,3-4,7,9-10,24H2/t13-,17+/m1/s1
InChiKey DIRIFWIKLRTNMB-DYVFJYSZSA-N
Formula C20H19F3N2O3 Molecular Weight 392.37
Cross Link CHEMBL225210 DB07830
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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