Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D
查看![N-(4-{4-amino-7-[4-methyl-5-(morpholin-4-ylmethyl)thien-2-yl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide 分子结构式](/api/mol/18451255/svg/360x280.svg)
HCID18451255
N-(4-{4-amino-7-[4-methyl-5-(morpholin-4-ylmethyl)thien-2-yl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
N-[4-[4-amino-7-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]thieno[3,2-c]pyridin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
C34H33N5O3S2623.8 g/mol
IDENTITY
结构与身份
- 标准SMILES
- COc1cc(-c2csc3c(-c4cc(C)c(CN5CCOCC5)s4)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C
- InChIKey
- QPELMVAIISQHNN-UHFFFAOYSA-N
- 分子式
- C34H33N5O3S2
- 平均分子量
- 623.8 g/mol
- 单同位素质量
- 623.20248228
COMPUTED
结构计算性质
- XLogP
- 5.6
- 极性表面积
- 151 Ų
- 氢键供体
- 2
- 氢键受体
- 8
- 可旋转键
- 7
- 重原子
- 44
- 形式电荷
- 0
- 复杂度
- 989
ALIASES
名称与别名
SCHEMBL3535004QPELMVAIISQHNN-UHFFFAOYSA-NN-(4-{4-amino-7-[4-methyl-5-(morpholin-4-ylmethyl)thien-2-yl]thieno[3,2-c]pyridin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide
REACTIONS
