Incb054329
(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
Molecular Identity
Incb054329
(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-one
PubChem CID: 90410660
2D Structure
Properties
C19H16N4O3
Molecular Formula
348.40
Molecular Weight
g/mol
348.1222
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
80.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
561
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5Isomeric SMILES
SMILES: CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4[C@H](CO3)C5=CC=CC=N5Synonyms(20)
INCB054329RefChem:923370BET Inhibitor INCB0543291628607-64-6INCB-54329INCB-054329(S)-6-(3,5-dimethylisoxazol-4-yl)-3-(pyridin-2-yl)-3,4-dihydro-5-oxa-1,2a-diazaacenaphthylen-2(1H)-one(11S)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-11-pyridin-2-yl-9-oxa-1,3-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-2-oneorb1704822CHEMBL5829234SCHEMBL16038298SCHEMBL29430396SCHEMBL29938688INCB54329US9624241, Example 14
Data from PubChem (NCBI)
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