CFam Chemical Families Database
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You are searching for "CFAMM00413729" in compound.

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CFAM Mol ID CFAMM00413729
Family CFFBM12073 Muscarinic acetylcholine receptor M3 and Muscarinic acetylcholine receptor M2 ligand propan-2-yl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[4-methyl-4-(2-phenylethyl)piperazin-4-ium-1-yl]-1-oxopropan-2-yl]carbamoylamino]benzoate family
Superfamily CFSID1774 Neutrophil elastase Inhibitor FR-901277 Superfamily
Class CFCCD537 Class 1350
External ID CHEMBL540148 External Source CHEMBL
PubChem CID 45266474 Functional Category Bioactive
Molecule Name propan-2-yl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide
IUPAC Name propan-2-yl 5-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-1-[(4-hydroxyphenyl)methyl]-1-methylpiperidin-1-ium-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]thiophene-2-carboxylate;iodide
Synonyms
InChi InChI=1S/C31H38N4O6S.HI/c1-20(2)41-30(39)27-14-15-28(42-27)34-31(40)33-26(17-21-6-10-24(36)11-7-21)29(38)32-23-5-4-16-35(3,19-23)18-22-8-12-25(37)13-9-22;/h6-15,20,23,26H,4-5,16-19H2,1-3H3,(H4-,32,33,34,36,37,38,39,40);1H/t23-,26-,35?;/m0./s1
InChiKey ASIDMQKXUIKLCY-ZIIGJBQBSA-N
Formula C31H39IN4O6S Molecular Weight 722.63
Cross Link CHEMBL540148
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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