CFam Chemical Families Database
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You are searching for "CFAMM00251292" in compound.

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CFAM Mol ID CFAMM00251292
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 CHEMBL176811 External Source CHEMBL
PubChem CID 44386230 Functional Category Bioactive
Molecule Name AGN-PC-075ADH
IUPAC Name 1-[2-[1-(3,5-dibromo-4-methoxybenzoyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Synonyms SureCN8350312;CHEBI:393493;1-[2-[1-(3,5-dibromo-4-methoxybenzoyl)-3-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethyl]-4-phenylpiperidine-4-carboxamide
InChi InChI=1S/C32H33Br2Cl2N3O3/c1-42-28-24(33)17-21(18-25(28)34)29(40)39-16-10-31(20-39,23-7-8-26(35)27(36)19-23)9-13-38-14-11-32(12-15-38,30(37)41)22-5-3-2-4-6-22/h2-8,17-19H,9-16,20H2,1H3,(H2,37,41)
InChiKey LCMYTAQFJIXBCQ-UHFFFAOYSA-N
Formula C32H33Br2Cl2N3O3 Molecular Weight 738.34
Cross Link CHEMBL176811
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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