85RE35306Z
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
Molecular Identity
85RE35306Z
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-c]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
PubChem CID: 121596701
2D Structure
Properties
C20H24N6O2S
Molecular Formula
412.50
Molecular Weight
g/mol
412.1681
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
724
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(19)
85RE35306Z1H-Pyrrolo(2,3-b)pyridine, 4-(4-(1-((S(R))-S-methylsulfonimidoyl)cyclopropyl)-6-((3R)-3-methyl-4-morpholinyl)-2-pyrimidinyl)-ceralasertibumRefChem:124439(R)-imino(methyl)(1-(6-((3R)-3-methylmorpholin-4-yl)-2-(1H-pyrrolo(2,3-c)pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-lambda6-sulfanone1352226-88-04-(4-(1-((S(R))-S-Methylsulfonimidoyl)cyclopropyl)-6-((3R)-3-methyl-4-morpholinyl)-2-pyrimidinyl)-1H-pyrrolo(2,3-b)pyridineAtr kinase inhibitor azd6738Azd-6738AZD6738CeralasertibCeralasertib [USAN]UNII-85RE35306ZWHO 10842SCHEMBL31602131
Data from PubChem (NCBI)
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