CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00251315" 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 CFAMM00251315
Family CFFID1813 Histamine H1 receptor Ligand MDL-105212 Family
Superfamily CFSCD362 Neuromedin-K receptor and Substance-K receptor Ligand CS-003 Superfamily
Class CFCCD264 Class 1077
External ID CHEMBL444086 External Source CHEMBL
PubChem CID 44384901 Functional Category Bioactive
Molecule Name SureCN8350752
IUPAC Name 1-[2-[3-(3,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Synonyms AGN-PC-0759KL;CHEBI:390277;1-[2-[3-(3,4-dichlorophenyl)-1-(4-methoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
InChi InChI=1S/C32H35Cl2N3O3/c1-40-26-10-7-23(8-11-26)29(38)37-20-14-31(22-37,25-9-12-27(33)28(34)21-25)13-17-36-18-15-32(16-19-36,30(35)39)24-5-3-2-4-6-24/h2-12,21H,13-20,22H2,1H3,(H2,35,39)
InChiKey BUBGVFLMAHPWIA-UHFFFAOYSA-N
Formula C32H35Cl2N3O3 Molecular Weight 580.54
Cross Link CHEMBL444086
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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