HRID137085
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CN(C)c1nc2cc(NC(=O)c3c(C(=O)O)cnn3C)ccn2n1
- InChIKey
- BVOQFZLOVFZTBR-UHFFFAOYSA-N
- 分子式
- C14H15N7O3
- 平均分子量
- 329.31 g/mol
- 单同位素质量
- 329.12363737
COMPUTED
结构计算性质
- XLogP
- 0.2
- 极性表面积
- 118 Ų
- 氢键供体
- 2
- 氢键受体
- 7
- 可旋转键
- 4
- 重原子
- 24
- 形式电荷
- 0
- 复杂度
- 503
ALIASES
名称与别名
SCHEMBL9106457BVOQFZLOVFZTBR-UHFFFAOYSA-NBDBM564454Roche-Dataset for PDE10A, Compound 7685-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
REACTIONS
参与反应
HRID161606
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1219264
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1238881
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1802207
uspto-grants-2013_01
作为反应物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08349824B2
查看条件与参与物HRID1802208
uspto-grants-2013_01
作为反应物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08349824B2
查看条件与参与物HRID1802209
uspto-grants-2013_01
作为反应物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08349824B2
查看条件与参与物HRID1802210
uspto-grants-2013_01
作为反应物
uspto-grants-2013_01 · 10.6084/m9.figshare.5104873.v1 · US08349824B2
查看条件与参与物