deulorlatinib
(16R)-19-amino-13-fluoro-8,16-dimethyl-9-oxo-4-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
Molecular Identity
deulorlatinib
(16R)-19-amino-13-fluoro-8,16-dimethyl-9-oxo-4-(trideuteriomethyl)-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
PubChem CID: 162703963
2D Structure
Properties
C21H19FN6O2
Molecular Formula
409.40
Molecular Weight
g/mol
409.1742
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
110
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
700
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(13)
deulorlatinib7PW3UT8C9B2131126-33-3RefChem:1083212deulorlatinib [INN]TGRX326TGRX-326CHEMBL6068047GTPL13488CS-1233930compound of formula A [US20220024908A1](10R)-7-Amino-12-fluoro-10,15,16,17-tetrahydro-10,16-dimethyl-2-(methyl-d3)-15-oxo-2H-4,8-methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile2H-4,8-Methenopyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecine-3-carbonitrile, 7-amino-12-fluoro-10,15,16,17-tetrahydro-10,16-dimethyl-2-(methyl-d3)-15-oxo-, (10R)-
Data from PubChem (NCBI)
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