CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00139931" 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 CFAMM00139931
Family CFFCD157 Calcitonin gene-related peptide type 1 receptor Ligand Telcagepant Family
Superfamily CFSCD143 Calcitonin gene-related peptide type 1 receptor Ligand Telcagepant Superfamily
Class CFCCD117 Class 930
External ID CHEMBL1223071 External Source CHEMBL
PubChem CID 49865219 Functional Category Bioactive
Molecule Name AGN-PC-088XAB
IUPAC Name 3-[1-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
Synonyms SureCN14515257;CHEBI:789514;3-[1-[1-(pyridin-3-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
InChi InChI=1S/C24H29N5O2/c30-23(19-7-12-27(13-8-19)17-18-4-3-11-25-16-18)28-14-9-20(10-15-28)29-22-6-2-1-5-21(22)26-24(29)31/h1-6,11,16,19-20H,7-10,12-15,17H2,(H,26,31)
InChiKey LHNYBBNJZKBKSE-UHFFFAOYSA-N
Formula C24H29N5O2 Molecular Weight 419.52
Cross Link CHEMBL1223071
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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