diamide 7   Click here for help

GtoPdb Ligand ID: 5830

Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 106.67
Molecular weight 394.14
XLogP 3.56
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O
Isomeric SMILES Cc1ccc(s1)C(C(=O)Nc1c(C)cccc1C)NC(=O)c1ccccc1O
InChI InChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
InChI Key AHTURLVFIJHCLS-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
Database Links Click here for help
ChEMBL Ligand CHEMBL1770298
GtoPdb PubChem SID 178102455
PubChem CID 53233899
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UniChem Connectivity Search for chemical match using the InChIKey AHTURLVFIJHCLS-UHFFFAOYSA-N