compound 24 [PMID: 31343176]   Click here for help

GtoPdb Ligand ID: 10438

Compound class: Synthetic organic
Comment: Compound 24 is reported as a selective, potent and orally active inhibitor of 17β-HSD2 (HSD17B2) [1].
It effectively preserves bone structure in a rat model of ovariectomy-induced osteoporosis.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 120.09
Molecular weight 507.02
XLogP 5.13
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F
Isomeric SMILES Fc1ccc(cc1)S(=O)(=O)Nc1ccccc1c1ccc(s1)C(=O)c1cc(F)c(c(c1F)O)F
InChI InChI=1S/C23H13F4NO4S2/c24-12-5-7-13(8-6-12)34(31,32)28-17-4-2-1-3-14(17)18-9-10-19(33-18)22(29)15-11-16(25)21(27)23(30)20(15)26/h1-11,28,30H
InChI Key CHVVDDGGNOHSOG-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
4-Fluoro-N-(2-(5-(2,4,5-trifluoro-3-hydroxybenzoyl)thiophen-2-yl)phenyl)benzene-sulfonamide
Database Links Click here for help
GtoPdb PubChem SID 385612198
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