[3H]eprosartan   Click here for help

GtoPdb Ligand ID: 3940

Synonyms: [3H]-eprosartan | [3H]SK&F 108566
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 120.66
Molecular weight 424.15
XLogP 3.89
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)C=C(C(=O)O)Cc1cccs1
Isomeric SMILES CCCCc1ncc(n1Cc1ccc(cc1)C(=O)O)/C=C(/C(=O)O)\Cc1cccs1
InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+
InChI Key OROAFUQRIXKEMV-LDADJPATSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-[[2-butyl-5-[(E)-3-hydroxy-3-oxo-2-(thiophen-2-ylmethyl)prop-1-enyl]imidazol-1-yl]methyl]benzoic acid
Synonyms Click here for help
[3H]-eprosartan | [3H]SK&F 108566
Database Links Click here for help
ChEMBL Ligand CHEMBL813
DrugCentral Ligand 1037
GtoPdb PubChem SID 178100768
PubChem CID 5281037
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