CFam Chemical Families Database
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You are searching for "CFAMM00161205" in compound.

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CFAM Mol ID CFAMM00161205
Family CFFCD506 Substance-P receptor Ligand TAK-637 Family
Superfamily CFSCD463 Substance-P receptor Ligand TAK-637 Superfamily
Class CFCCD27 Class 840
External ID CHEMBL317632 External Source CHEMBL
PubChem CID 9830304 Functional Category Bioactive
Molecule Name N-methyl-N-[(E,2R)-1-(1-methylindol-3-yl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-3,5-bis(trifluoromethyl)benzamide
IUPAC Name N-methyl-N-[(E,2R)-1-(1-methylindol-3-yl)-5-oxo-5-[[(3R)-2-oxoazepan-3-yl]amino]pent-3-en-2-yl]-3,5-bis(trifluoromethyl)benzamide
Synonyms CHEBI:271507
InChi InChI=1S/C30H30F6N4O3/c1-39-17-19(23-7-3-4-9-25(23)39)15-22(10-11-26(41)38-24-8-5-6-12-37-27(24)42)40(2)28(43)18-13-20(29(31,32)33)16-21(14-18)30(34,35)36/h3-4,7,9-11,13-14,16-17,22,24H,5-6,8,12,15H2,1-2H3,(H,37,42)(H,38,41)/b11-10+/t22-,24+/m0/s1
InChiKey UBTBHLFGNMLMCX-GPJZNVRBSA-N
Formula C30H30F6N4O3 Molecular Weight 608.57
Cross Link CHEMBL317632
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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Professor in Department of Pharmacy
National University of Singapore, Singapore


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