HCID55717

Disoxaril

5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-3-methyl-1,2-oxazole

C20H26N2O3342.4 g/molCAS 87495-31-6

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IDENTITY

结构与身份

标准SMILES: Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1
InChIKey: FKLJPTJMIBLJAV-UHFFFAOYSA-N
分子式: C20H26N2O3
平均分子量: 342.4 g/mol
单同位素质量: 342.1943427

COMPUTED

结构计算性质

已同步

XLogP: 4.4
极性表面积: 56.9 Å²
氢键供体: 0
氢键受体: 5
可旋转键: 10
重原子: 25
形式电荷: 0
复杂度: 408

PHARMACOLOGY

药理信息

来源：PubChem

MeSH Pharmacological Classification

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.

ALIASES

名称与别名

共 48 条

DISOXARIL87495-31-6DisoxariloWin-51711DisoxarilumFX8Q9PI4VPWIN 51,7115-(7-(4-(4,5-Dihydro-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazoleDTXSID70236354Isoxazole, 5-(7-(4-(4,5-dihydro-2-oxazolyl)phenoxy)heptyl)-3-methyl-Isoxazole, 5-[7-[4-(4,5-dihydro-2-oxazolyl)phenoxy]heptyl]-3-methyl-5-[7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]heptyl]-3-methyl-isoxazole5-{7-[4-(4,5-Dihydro-2-oxazolyl)phenoxy]heptyl}-3-methylisoxazole5-(7-(4-(4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methyl-isoxazoleRefChem:530591DTXCID70158845Compound IVDisoxarilum [Latin]WIN 51711Disoxarilo [Spanish]

REACTIONS

参与反应

10 条

uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05002960

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uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05002960

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uspto-grants-1991_03 · 10.6084/m9.figshare.5104873.v1 · US05002960

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Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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uspto-grants-1989_06 · 10.6084/m9.figshare.5104873.v1 · US04843087

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uspto-grants-1989_06 · 10.6084/m9.figshare.5104873.v1 · US04843087

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uspto-grants-1989_06 · 10.6084/m9.figshare.5104873.v1 · US04843087

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