3-[[[3-[(二甲基氨基)甲基]苯基]氨基]苯基亚甲基]-2,3-二氢-2-氧代-1H-吲哚-6-甲酰胺 | 1094614-84-2
3-[[[3-[(二甲基氨基)甲基]苯基]氨基]苯基亚甲基]-2,3-二氢-2-氧代-1H-吲哚-6-甲酰胺
BIX02188
1094614-84-2
C25H24N4O2
412.48
名称和标识符
MDL |
MFCD18157583 |
InChIKey |
WGPXKFOFEXJMBD-SLEBQGDGSA-N |
Inchi |
1S/C25H24N4O2/c1-29(2)15-16-7-6-10-19(13-16)27-23(17-8-4-3-5-9-17)22-20-12-11-18(24(26)30)14-21(20)28-25(22)31/h3-14,28,31H,15H2,1-2H3,(H2,26,30)/b27-23+ |
SMILES |
O([H])C1=C(/C(/C2C([H])=C([H])C([H])=C([H])C=2[H])=N/C2=C([H])C([H])=C([H])C(=C2[H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C2C([H])=C([H])C(C(N([H])[H])=O)=C([H])C=2N1[H] |
别名信息
- 中文别名 -
- 2-羟基-4-(三氟甲基)嘧啶
- 3-[[[3-[(二甲基氨基)甲基]苯基]氨基]苯基亚甲基]-2,3-二氢-2-氧代-1H-吲哚-6-甲酰胺
- 3-[[[3-[(二甲基氨基)甲基]苯基]氨基]苯基亚甲基]-2,3-二氢-2-氧代-1H-吲哚-6-羧酰胺
- BIX02188 抑制剂
- MEK5抑制剂(BIX02188)
- 英文别名 -
- BIX02188
- 3-[[[3-[(dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-Indole-6-carboxamide
- BIX-02188
- BIX 02188
- 4Y3VYY2X83
- (3Z)-3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indole-6-carboxamide
- (3Z)-3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxamide
- (Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoli
- (Z)-3-(((3-((Dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
- (Z)-3-(((3-((dimethylamino)methyl)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carb
- CID 135398492
- 3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indole-6-carboxamide
- BIX 02188(BIX-02188
- BIX02188)
- BIX-02188(Random Configuration)
- (Z)-3-((3-((dimethylamino)methyl)phenylamino)(phenyl)methylene)-2-oxoindoline-6-carboxamide
- 3-[[[3-[(Dimethylamino)methyl]phenyl]amino]phenylmethylene]-2,3-dihydro-2-oxo-1H-indole-6-carboxamide BIX 02188
- BIX 02188, >=98%
物化性质
实验特性
LogP |
4.69090 |
PSA |
87.46000 |
沸点 |
615.8±55.0°C at 760 mmHg |
熔点 |
Not available |
蒸气压 |
Not available |
闪点 |
Not available |
溶解度 |
DMSO (Slightly), Methanol (Slightly) |
酸度系数(pKa) |
11.19±0.20(Predicted) |
密度 |
1.283 |
计算特性
精确分子量 |
412.19000 |
氢键供体数量 |
3 |
氢键受体数量 |
4 |
可旋转化学键数量 |
6 |
重原子数量 |
31 |
复杂度 |
645 |
拓扑分子极性表面积 |
94.7 |
3-[[[3-[(二甲基氨基)甲基]苯基]氨基]苯基亚甲基]-2,3-二氢-2-氧代-1H-吲哚-6-甲酰胺推荐生产厂家