HCID56836258

Plasma kallikrein-IN-3

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide

C20H23N5O2365.4 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(Cn2cc(C(=O)NCc3c(C)cc(N)nc3C)cn2)cc1
InChIKey: ULUARQDPFVJPMB-UHFFFAOYSA-N
分子式: C20H23N5O2
平均分子量: 365.4 g/mol
单同位素质量: 365.18517499

COMPUTED

结构计算性质

已同步

XLogP: 1.9
极性表面积: 95.1 Å²
氢键供体: 2
氢键受体: 5
可旋转键: 6
重原子: 27
形式电荷: 0
复杂度: 483

ALIASES

名称与别名

共 18 条

Plasma kallikrein-IN-31357950-47-0N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-1-(4-methoxybenzyl)-1H-pyrazole-4-carboxamideSCHEMBL553895orb1688633CHEMBL3944733ULUARQDPFVJPMB-UHFFFAOYSA-NBDBM211981EBC-609257DA-76948N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamidePD129417HY-150052CS-0567225T61403US9290485, 13Z3599684076N-[(6-amino-2,4-dimethylpyridin-3-yl)methyl]-1-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide

REACTIONS

参与反应

3 条

uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290485B2

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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290485B2

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uspto-grants-2016_03 · 10.6084/m9.figshare.5104873.v1 · US09290485B2

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