CFam Chemical Families Database
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You are searching for "CFAMM00135349" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00135349
Family CFFCD122 Neuromedin-K receptor Ligand Osanetant Family
Superfamily CFSCD111 Neuromedin-K receptor Ligand Osanetant Superfamily
Class CFCCD95 Class 908
External ID CHEMBL567849 External Source CHEMBL
PubChem CID 25222441 Functional Category Bioactive
Molecule Name AGN-PC-050IIC
IUPAC Name 4-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N,2-dimethylbutanamide
Synonyms CHEBI:673453;(2R)-4-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-(3,4-dichlorophenyl)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-N,2-dimethylbutanamide
InChi InChI=1S/C28H33Cl2F4N3O2/c1-18(38)36(4)21-9-12-37(13-10-21)14-11-27(2,20-6-7-23(29)24(30)16-20)26(39)35(3)17-19-5-8-25(31)22(15-19)28(32,33)34/h5-8,15-16,21H,9-14,17H2,1-4H3
InChiKey JMEKLKBPAWJBOV-UHFFFAOYSA-N
Formula C28H33Cl2F4N3O2 Molecular Weight 590.48
Cross Link CHEMBL567849
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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