CFam Chemical Families Database
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You are searching for "CFAMM00442734" 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.

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CFAM Mol ID CFAMM00442734
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 CHEMBL466271 External Source CHEMBL
PubChem CID 45266389 Functional Category Bioactive
Molecule Name ethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(4-bromophenyl)-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-(4-bromophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide
Synonyms
InChi InChI=1S/C32H35BrN4O6.HI/c1-3-41-31(39)23-7-11-25(12-8-23)35-32(40)36-27(16-21-4-9-24(33)10-5-21)30(38)34-26-14-15-37(2,19-26)18-22-6-13-28-29(17-22)43-20-42-28;/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,34,35,36,38,39,40);1H/t26-,27-,37?;/m0./s1
InChiKey ABPAUEWHUKZUPD-UYCLPYRZSA-N
Formula C32H36BrIN4O6 Molecular Weight 779.46
Cross Link CHEMBL466271
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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