CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00135338" 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 CFAMM00135338
Family CFFCD122 Neuromedin-K receptor Ligand Osanetant Family
Superfamily CFSCD111 Neuromedin-K receptor Ligand Osanetant Superfamily
Class CFCCD95 Class 908
External ID CHEMBL1682640 External Source CHEMBL
PubChem CID 53323699 Functional Category Bioactive
Molecule Name AGN-PC-09QL9T
IUPAC Name 2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Synonyms CHEBI:1172705;2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
InChi InChI=1S/C32H33Cl4N3O2/c1-21(40)37-31(23-6-4-3-5-7-23)12-14-39(15-13-31)20-25-18-32(25,24-9-11-27(34)29(36)16-24)30(41)38(2)19-22-8-10-26(33)17-28(22)35/h3-11,16-17,25H,12-15,18-20H2,1-2H3,(H,37,40)
InChiKey BEGFCGPNILKSKQ-UHFFFAOYSA-N
Formula C32H33Cl4N3O2 Molecular Weight 633.44
Cross Link CHEMBL1682640
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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