CFam Chemical Families Database
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You are searching for "CFAMM00325383" in compound.

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CFAM Mol ID CFAMM00325383
Family CFFBM1585 Muscarinic acetylcholine receptor M2 ligand [4-[(3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidin-1-yl]-(2-methylphenyl)methanone family
Superfamily CFSBM478 Muscarinic acetylcholine receptor M2 Binder Superfamily
Class CFCBM185 Class 3235
External ID CHEMBL412814 External Source CHEMBL
PubChem CID 44379050 Functional Category Bioactive
Molecule Name [2-[4-[(3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidine-1-carbonyl]phenyl]methyl benzoate
IUPAC Name [2-[4-[(3R)-4-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-3-methylpiperazin-1-yl]piperidine-1-carbonyl]phenyl]methyl benzoate
Synonyms CHEBI:377286
InChi InChI=1S/C40H43N3O7S/c1-28-25-42(22-23-43(28)29(2)30-12-14-34(15-13-30)51(46,47)35-16-17-37-38(24-35)50-27-49-37)33-18-20-41(21-19-33)39(44)36-11-7-6-10-32(36)26-48-40(45)31-8-4-3-5-9-31/h3-17,24,28-29,33H,18-23,25-27H2,1-2H3/t28-,29+/m1/s1
InChiKey FRZUCMHFCDFAEM-WDYNHAJCSA-N
Formula C40H43N3O7S Molecular Weight 709.85
Cross Link CHEMBL412814
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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