Dubermatinib
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
Molecular Identity
Dubermatinib
2-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID: 56839178
2D Structure
Properties
C24H30ClN7O2S
Molecular Formula
516.10
Molecular Weight
g/mol
515.1870
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
9
H-Bond Acceptors
751
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Dubermatinib1341200-45-0TP-0903TP09032-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzenesulfonamideTP 090314D65TV20J2-{[5-chloro-2-({4-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)pyrimidin-4-yl]amino}-N,N-dimethylbenzene-1-sulfonamidedubermatinibum2-((5-chloro-2-((4-((4-methylpiperazin-1-yl)methyl)phenyl)amino)pyrimidin-4-yl)amino)-N,N-dimethylbenzene-1-sulfonamideRefChem:135945Dubermatinib [USAN]MFCD285021722-[[5-chloro-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]amino]-N,N-dimethylbenzenesulfonamideCHEMBL2022968
Data from PubChem (NCBI)
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