CFam Chemical Families Database
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You are searching for "CFAMM00324539" 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.

Search Results

CFAM Mol ID CFAMM00324539
Family CFFBM1519 Muscarinic acetylcholine receptor M2 ligand AGN-PC-0745NK family
Superfamily CFSBM870 Cannabinoid receptor 2 and Cannabinoid receptor 1 Binder Superfamily 8
Class CFCID477 Class 1827
External ID CHEMBL11756 External Source CHEMBL
PubChem CID 44267696 Functional Category Bioactive
Molecule Name AGN-PC-0745NK
IUPAC Name [4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-quinolin-5-ylmethanone
Synonyms CHEBI:109741;[4-[4-[(4-propan-2-ylsulfanylphenyl)methyl]piperidin-1-yl]piperidin-1-yl]-quinolin-5-ylmethanone
InChi InChI=1S/C30H37N3OS/c1-22(2)35-26-10-8-23(9-11-26)21-24-12-17-32(18-13-24)25-14-19-33(20-15-25)30(34)28-5-3-7-29-27(28)6-4-16-31-29/h3-11,16,22,24-25H,12-15,17-21H2,1-2H3
InChiKey ZQIBSMJNQOCPSC-UHFFFAOYSA-N
Formula C30H37N3OS Molecular Weight 487.70
Cross Link CHEMBL11756
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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