Gsk3965193B free acid
(2S,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,11-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
Molecular Identity
Gsk3965193B free acid
(2S,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,11-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid
PubChem CID: 138523931
2D Structure
Properties
C22H25ClN2O5
Molecular Formula
432.90
Molecular Weight
g/mol
432.1452
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
89
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
779
Complexity
SMILES
Canonical SMILES
SMILES: CC1(CCC2C1N3C=C(C(=O)C=C3C4=NC(=C(C=C24)OCCCOC)Cl)C(=O)O)CIsomeric SMILES
SMILES: CC1(CC[C@H]2[C@@H]1N3C=C(C(=O)C=C3C4=NC(=C(C=C24)OCCCOC)Cl)C(=O)O)CSynonyms(12)
GSK3965193B FREE ACIDGSK3965193GSK-3965193NZZ7UWE8JNCHEMBL6068553SCHEMBL20876520GSK 3965193 [WHO-DD](2S,6R)-10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,11-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid(4bR,7aS)-2-Chloro-4b,5,6,7,7a,11-hexahydro-3-(3-methoxypropoxy)-7,7-dimethyl-11-oxocyclopenta[f]pyrido[1,2-h][1,7]naphthyridine-10-carboxylic acid10-chloro-9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-1,11-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylic acid, (2S,6R)-2305766-58-7Cyclopenta[f]pyrido[1,2-h][1,7]naphthyridine-10-carboxylic acid, 2-chloro-4b,5,6,7,7a,11-hexahydro-3-(3-methoxypropoxy)-7,7-dimethyl-11-oxo-, (4bR,7aS)-
Data from PubChem (NCBI)
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