RN983
HIT212717981
sdf文件结构编辑类似物检索
HIT ID: HIT212717981
Cas No: 1423129-83-2
分子式: C34H37FN8O3
分子量: 624.721
常用名: RN983
氢键受体数 (HBA): 9
氢键供体数 (HBD): 2
LogP: 3.8314054
IUPAC: 6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-(1-methyl-5-{[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)pyridin-2-yl]-1,2-dihydrophthalazin-1-one
IUPAC: 6-tert-butyl-8-fluoro-2-[3-(hydroxymethyl)-4-(1-methyl-5-{[5-(1-methylpiperidin-4-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)pyridin-2-yl]-1,2-dihydrophthalazin-1-one
SMILES: CN1CCC(CC1)c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
SMILES: CN1CCC(CC1)c1ccc(Nc2cc(nn(C)c2=O)-c2ccnc(c2CO)-n2ncc3cc(cc(F)c3c2=O)C(C)(C)C)nc1
InChI key: YPYHTXOIYCWSMJ-UHFFFAOYSA-N
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