Zedoresertib
6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-one
Molecular Identity
Zedoresertib
6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-one
PubChem CID: 152206257
2D Structure
Properties
C26H28Cl2N6O
Molecular Formula
511.40
Molecular Weight
g/mol
510.1702
Exact Mass
Da
5.6
XLogP
Above Lipinski threshold
64.6
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
727
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(CN(C3=O)C4=C(C=CC=C4Cl)Cl)C)C5CCN(CC5)CIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(CN(C3=O)C4=C(C=CC=C4Cl)Cl)C)C5CCN(CC5)CSynonyms(20)
Debio-01232243882-74-6ZedoresertibDebio0123M6Q5T59DJQRefChem:1101126WEE1-IN-5CHEMBL55553183-(2,6-Dichlorophenyl)-2,3-dihydro-1-methyl-7-[[3-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino]pyrimido[4,5-d]pyrimidin-4(1H)-one6-(2,6-dichlorophenyl)-8-methyl-2-[3-methyl-4-(1-methylpiperidin-4-yl)anilino]-7H-pyrimido[4,5-d]pyrimidin-5-one3-(2,6-Dichlorophenyl)-1-methyl-7-((3-methyl-4-(1-methylpiperidin-4-yl)phenyl)amino)-2,3-dihydropyrimido[4,5-d]pyrimidin-4(1H)-one3-(2,6-dichlorophenyl)-1-methyl-7-{[3-methyl-4-(1-methylpiperidin-4-yl)phenyl]amino}-2H-[1,3]diazino[4,5-d]pyrimidin-4-onePYRIMIDO(4,5-D)PYRIMIDIN-4(1H)-ONE, 3-(2,6-DICHLOROPHENYL)-2,3-DIHYDRO-1-METHYL-7-((3-METHYL-4-(1-METHYL-4-PIPERIDINYL)PHENYL)AMINO)-Pyrimido[4,5-d]pyrimidin-4(1H)-one, 3-(2,6-dichlorophenyl)-2,3-dihydro-1-methyl-7-[[3-methyl-4-(1-methyl-4-piperidinyl)phenyl]amino]-zedoresertib [INN]
Data from PubChem (NCBI)
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