CFAM Mol ID	CFAMM00442732
Family	CFFBM17462 Muscarinic acetylcholine receptor M2 and Muscarinic acetylcholine receptor M3 ligand ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide family
Superfamily	CFSID2854 Genome polyprotein Inhibitor Azapeptide Derivative Superfamily
Class	CFCCD141 Class 954
External ID	CHEMBL540398	External Source	CHEMBL
PubChem CID	45266401	Functional Category	Bioactive
Molecule Name	ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide
IUPAC Name	ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide
Synonyms
InChi	InChI=1S/C32H34Cl2N4O6.HI/c1-3-42-31(40)22-6-8-23(9-7-22)36-32(41)37-27(15-20-4-10-25(33)26(34)14-20)30(39)35-24-12-13-38(2,18-24)17-21-5-11-28-29(16-21)44-19-43-28;/h4-11,14,16,24,27H,3,12-13,15,17-19H2,1-2H3,(H2-,35,36,37,39,40,41);1H/t24-,27-,38?;/m0./s1
InChiKey	NCWPXSLFBGDOQT-NADAZAGSSA-N
Formula	C32H35Cl2IN4O6	Molecular Weight	769.45
Cross Link	CHEMBL540398
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

27398 visits since 2014 .........

Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore

All rights reserved.