HCID9841364

1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl)-1-ethynyl)-1-cyclopentanol

1-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol

C19H18FN5O351.4 g/mol

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IDENTITY

结构与身份

标准SMILES: Cn1c(-c2cccc(F)c2)nc2c(N)nc(C#CC3(O)CCCC3)nc21
InChIKey: LPAMCBPWGRTOCP-UHFFFAOYSA-N
分子式: C19H18FN5O
平均分子量: 351.4 g/mol
单同位素质量: 351.14953838

COMPUTED

结构计算性质

已同步

XLogP: 2.1
极性表面积: 89.9 Å²
氢键供体: 2
氢键受体: 6
可旋转键: 3
重原子: 26
形式电荷: 0
复杂度: 583

ALIASES

名称与别名

共 16 条

1-(2-(6-amino-8-(3-fluorophenyl)-9-methyl-9h-2-purinyl)-1-ethynyl)-1-cyclopentanol1-[2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl]-1-cyclopentanol1-{2-(6-Amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-{2-[6-amino-8-(3-fluorophenyl)-9-methyl-9H-2-purinyl]-1-ethynyl}-1-cyclopentanol1-AFPMPE-cyclopentanolRefChem:907189CHEMBL2976851-[6-Amino-8-(3-fluoro-phenyl)-9-methyl-9H-purin-2-ylethynyl]-cyclopentanolSCHEMBL5973197LPAMCBPWGRTOCP-UHFFFAOYSA-NBDBM50095790DB-328800E-32101-[2-[6-amino-8-(3-fluorophenyl)-9-methylpurin-2-yl]ethynyl]cyclopentan-1-ol1-[2-[6-AMINO-9-METHYL-8-(3-FLUOROPHENYL)-9H-2-PURINYL]-1-ETHYNYL]-1-CYCLOPENTANOL232252-63-0

REACTIONS

参与反应

9 条

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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

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uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06579868B1

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uspto-grants-2003_06 · 10.6084/m9.figshare.5104873.v1 · US06579868B1

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Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

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uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · USRE039112E1

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uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · USRE039112E1

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uspto-grants-2006_05 · 10.6084/m9.figshare.5104873.v1 · USRE039112E1

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