HCID46908026

RN486

6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-6-oxo-3-pyridinyl]phenyl]isoquinolin-1-one

C35H35FN6O3606.7 g/molCAS 1242156-23-5

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IDENTITY

结构与身份

标准SMILES: CN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ccc6cc(C7CC7)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1
InChIKey: ZTUJNJAKTLHBEX-UHFFFAOYSA-N
分子式: C35H35FN6O3
平均分子量: 606.7 g/mol
单同位素质量: 606.27546716

COMPUTED

结构计算性质

已同步

XLogP: 3.8
极性表面积: 92.3 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 7
重原子: 45
形式电荷: 0
复杂度: 1,210

ALIASES

名称与别名

共 50 条

RN4861242156-23-56-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one6-Cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one6-cyclopropyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxopyridin-3-yl)phenyl)isoquinolin-1-one6-cyclopropyl-8-fluoro-2-(2-hydroxymethyl-3-(1-methyl-5-(5-(4-methyl-piperazin-1-yl)-pyridin-2-ylamino)-6-oxo-1,6-dihydro-pyridin-3-yl)-phenyl)-2H-isoquinolin-1-oneRefChem:179580RN-486MFCD24682729RN 486CHEMBL20579186-cyclopropyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-5-((5-(4-methylpiperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoquinolin-1(2H)-one6-cyclopropyl-8-fluoro-2-(2-(hydroxymethyl)-3-(1-methyl-5-(5-(4-methylpiperazin-1-yl)pyridin-2-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)phenyl)isoquinolin-1(2H)-one6-Cyclopropyl-8-Fluoranyl-2-[2-(Hydroxymethyl)-3-[1-Methyl-5-[[5-(4-Methylpiperazin-1-Yl)pyridin-2-Yl]amino]-6-Oxidanylidene-Pyridin-3-Yl]phenyl]isoquinolin-1-Onecompound 29 [PMID 22394077]C35H35FN6O36-Cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridin-3-yl)phenyl]isoquinolin-1(2H)-oneGTPL8249orb1226690orb1306892

REACTIONS

参与反应

2 条

uspto-grants-2012_10 · 10.6084/m9.figshare.5104873.v1 · US08299077B2

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Training data from https://doi.org/10.1039/C8SC04228D (4/10) · 10.1039/C8SC04228D

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