CFam Chemical Families Database
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You are searching for "CFAMM00417785" in compound.

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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 CFAMM00417785
Family CFFBM12702 Muscarinic acetylcholine receptor M3 and Muscarinic acetylcholine receptor M2 ligand AGN-PC-0769KO family
Superfamily CFSBM5843 Muscarinic acetylcholine receptor M3 and Muscarinic acetylcholine receptor M2 Binder Superfamily
Class CFCBM1880 Class 4930
External ID CHEMBL394254 External Source CHEMBL
PubChem CID 44431381 Functional Category Bioactive
Molecule Name AGN-PC-0769KI
IUPAC Name 3-[(2-cyclopentylethylamino)methyl]-N,N-dimethyl-2,4-dihydro-1,5-benzodioxepin-3-amine
Synonyms CHEBI:495662;3-[(2-cyclopentylethylamino)methyl]-N,N-dimethyl-2,4-dihydro-1,5-benzodioxepin-3-amine
InChi InChI=1S/C19H30N2O2/c1-21(2)19(13-20-12-11-16-7-3-4-8-16)14-22-17-9-5-6-10-18(17)23-15-19/h5-6,9-10,16,20H,3-4,7-8,11-15H2,1-2H3
InChiKey YRAPYXYTEMMURR-UHFFFAOYSA-N
Formula C19H30N2O2 Molecular Weight 318.45
Cross Link CHEMBL394254
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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