CFam Chemical Families Database
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You are searching for "CFAMM00381681" in compound.

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CFAM Mol ID CFAMM00381681
Family CFFBM7616 Substance-P receptor ligand N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-4-morpholin-4-ylbutanamide family
Superfamily CFSBM3157 Substance-P receptor and Nonstructural protein 1 Binder Superfamily
Class CFCCD113 Class 926
External ID CHEMBL426577 External Source CHEMBL
PubChem CID 10415534 Functional Category Bioactive
Molecule Name N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-3-piperidin-4-ylpropanamide
IUPAC Name N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-3-piperidin-4-ylpropanamide
Synonyms CHEBI:388402
InChi InChI=1S/C29H31F6N3O2/c30-28(31,32)21-13-19(14-22(16-21)29(33,34)35)5-7-26(39)25(15-20-17-37-24-4-2-1-3-23(20)24)38-27(40)8-6-18-9-11-36-12-10-18/h1-4,13-14,16-18,25,36-37H,5-12,15H2,(H,38,40)/t25-/m0/s1
InChiKey UZAUACUHKJBFBZ-VWLOTQADSA-N
Formula C29H31F6N3O2 Molecular Weight 567.57
Cross Link CHEMBL426577
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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