Pocenbrodib
trans-(1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
Molecular Identity
Pocenbrodib
trans-(1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID: 138472434
2D Structure
Properties
C28H32FN3O6
Molecular Formula
525.60
Molecular Weight
g/mol
525.2275
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
114
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
864
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3C4CCCC(C4)C(=O)O)C(C5=C(C=CC(=C5)F)OC)OIsomeric SMILES
SMILES: C[C@H]1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3[C@@H]4CCC[C@H](C4)C(=O)O)[C@@H](C5=C(C=CC(=C5)F)OC)OSynonyms(20)
Pocenbrodib2304372-79-8EI2N46W53ZRefChem:1096479FT-7051(1R,3R)-3-[(7S)-2-[(R)-(5-Fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acidtrans-(1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-methoxyphenyl)-hydroxymethyl]-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acidpocenbrodib [INN]Pocenbrodib (USAN/INN)POCENBRODIB [USAN]orb1739789CHEMBL5314476SCHEMBL20818742SCHEMBL29566606GTPL14648
Data from PubChem (NCBI)
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