CFam Chemical Families Database
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You are searching for "CFAMM00436079" in compound.

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CFAM Mol ID CFAMM00436079
Family CFFBM15827 Muscarinic acetylcholine receptor M2 ligand 4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-1,3-dioxolan-2-yl]-1-(1-propylsulfonylpiperidin-4-yl)piperidine family
Superfamily CFSBM4012 Muscarinic acetylcholine receptor M2 Binder Superfamily 3
Class CFCBM185 Class 3235
External ID CHEMBL328094 External Source CHEMBL
PubChem CID 44324892 Functional Category Bioactive
Molecule Name ethyl 4-[4-[(4R,5R)-2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]piperidin-1-yl]piperidine-1-carboxylate
IUPAC Name ethyl 4-[4-[(4R,5R)-2-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]-4,5-dimethyl-1,3-dioxolan-2-yl]piperidin-1-yl]piperidine-1-carboxylate
Synonyms CHEBI:248926
InChi InChI=1S/C31H40N2O8S/c1-4-37-30(34)33-17-13-25(14-18-33)32-15-11-24(12-16-32)31(40-21(2)22(3)41-31)23-5-7-26(8-6-23)42(35,36)27-9-10-28-29(19-27)39-20-38-28/h5-10,19,21-22,24-25H,4,11-18,20H2,1-3H3/t21-,22-/m1/s1
InChiKey OPNMQJACZADLMN-FGZHOGPDSA-N
Formula C31H40N2O8S Molecular Weight 600.72
Cross Link CHEMBL328094
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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