HIT ID: HIT212650402
Cas No: 1448723-60-1
分子式: C20H25N5O2
分子量: 367.453
常用名: methyl 4-{[3-(piperidin-1-yl)propyl]amino}-9H-pyrimido[4,5-b]indole-7-carboxylate
常用名: methyl 4-{[3-(piperidin-1-yl)propyl]amino}-9H-pyrimido[4,5-b]indole-7-carboxylate
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 2.3807547
IUPAC: methyl 4-{[3-(piperidin-1-yl)propyl]amino}-9H-pyrimido[4,5-b]indole-7-carboxylate
IUPAC: methyl 4-{[3-(piperidin-1-yl)propyl]amino}-9H-pyrimido[4,5-b]indole-7-carboxylate
SMILES: COC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCCN3CCCCC3)c21
SMILES: COC(=O)c1ccc2c(c1)[nH]c1ncnc(NCCCN3CCCCC3)c21
InChI key: SIBCJMZHJZDUNK-UHFFFAOYSA-N
