MRS2298
HIT212693011
sdf文件结构编辑类似物检索
HIT ID: HIT212693011
Cas No: 491611-43-9
分子式: C10H16ClN5O8P2
分子量: 431.66
常用名: MRS2298
氢键受体数 (HBA): 10
氢键供体数 (HBD): 5
LogP: -1.0889454
IUPAC: (2-{[2-chloro-6-(methylamino)-9H-purin-9-yl]methyl}-3-(phosphonooxy)propoxy)phosphonic acid
IUPAC: (2-{[2-chloro-6-(methylamino)-9H-purin-9-yl]methyl}-3-(phosphonooxy)propoxy)phosphonic acid
SMILES: CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12
SMILES: CNc1nc(Cl)nc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12
InChI key: GMCUIIHBWNOHIM-UHFFFAOYSA-N
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