PT-150
(11R,13S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular Identity
PT-150
(11R,13S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
PubChem CID: 9824013
2D Structure
Properties
C28H30O4
Molecular Formula
430.50
Molecular Weight
g/mol
430.2144
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
55.8
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
962
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(5)
PT-150CHEMBL3545391SCHEMBL11914193SCH 900636(11R,13S,17S)-11-(1,3-benzodioxol-5-yl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Data from PubChem (NCBI)
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