Linustedastat
3-[(8R,9S,13S,14S,15R,17E)-4-fluoro-17-hydroxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-fluoro-2-pyridinyl)propanamide
Molecular Identity
Linustedastat
3-[(8R,9S,13S,14S,15R,17E)-4-fluoro-17-hydroxyimino-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-15-yl]-N-(5-fluoro-2-pyridinyl)propanamide
PubChem CID: 171390018
2D Structure
Properties
C26H29F2N3O2
Molecular Formula
453.50
Molecular Weight
g/mol
453.2228
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
74.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
764
Complexity
SMILES
Canonical SMILES
SMILES: CC12CCC3C(C1C(CC2=NO)CCC(=O)NC4=NC=C(C=C4)F)CCC5=C3C=CC=C5FIsomeric SMILES
SMILES: C[C@]1\2CC[C@H]3[C@H]([C@@H]1[C@@H](C/C2=N\O)CCC(=O)NC4=NC=C(C=C4)F)CCC5=C3C=CC=C5FSynonyms(19)
Linustedastat2254299-48-2PP3PLL7GZYRefChem:1088491Linustedastatumlinustedastat [INN]Linustedastat (USAN/INN)LINUSTEDASTAT [USAN]orb2663968DTXSID101376538EX-A13056OG-6219HY-159525D13078T89570
Data from PubChem (NCBI)
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Drug Network
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