Ceralasertib
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
Molecular Identity
Ceralasertib
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
PubChem CID: 54761306
2D Structure
Properties
C20H24N6O2S
Molecular Formula
412.50
Molecular Weight
g/mol
412.1681
Exact Mass
Da
2.6
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: CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4Isomeric SMILES
SMILES: C[C@@H]1COCCN1C2=NC(=NC(=C2)C3(CC3)[S@](=N)(=O)C)C4=C5C=CNC5=NC=C4Synonyms(20)
Ceralasertib1352226-88-0AZD-6738AZD 6738CHEMBL4285417(R)-imino(methyl)(1-(6-((R)-3-methylmorpholino)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl)cyclopropyl)-l6-sulfanoneBDBM50468001Ceralasertib (AZD6738)BDBM60432OHUHVTCQTUDPIJ-JYCIKRDWSA-NVJMCERALASERTIB [INN]CERALASERTIB [WHO-DD]Ceralasertib (JAN/USAN/INN)GTPL9390
Data from PubChem (NCBI)
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Trials and conditions connected to Ceralasertib
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