Selumetinib
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
Molecular Identity
Selumetinib
6-(4-bromo-2-chloroanilino)-7-fluoro-N-(2-hydroxyethoxy)-3-methylbenzimidazole-5-carboxamide
PubChem CID: 10127622
2D Structure
Properties
C17H15BrClFN4O3
Molecular Formula
457.70
Molecular Weight
g/mol
456.0000
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
88.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
523
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCOIsomeric SMILES
SMILES: CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCOSynonyms(20)
Selumetinib606143-52-6AZD6244ARRY-1428865-[(4-BROMO-2-CHLOROPHENYL)AMINO]-4-FLUORO-N-(2-HYDROXYETHOXY)-1-METHYL-1H-BENZIMIDAZOLE-6-CARBOXAMIDEAZD 6244AZD-6244ARRY-886selumetinibumDTXSID30489446UH91I579UARRY142886DTXCID0028870CHEBI:902271H-Benzimidazole-6-carboxamide, 5-((4-bromo-2-chlorophenyl)amino)-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-
Data from PubChem (NCBI)
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