805242-85-7 ((10-((4-Methylpiperazin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-one)

CAS号:
805242-85-7
英文名称:
10-((4-Methylpiperazin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-one
分子式:
C20H20N4O2
分子量:
348.398404121399

10-((4-Methylpiperazin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-one(805242-85-7)名称与标识符

名称

英文别名:
[1]Benzopyrano[4,3,2-de]phthalazin-3(2H)-one, 10-[(4-methyl-1-piperazinyl)methyl]-;GPI 15427;Kinome_3609;70SQZ3QY6L;10-((4-Methylpiperazin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-one;Q27265892;10-(4-methyl-piperazin-1-ylmethyl)-2h-7-oxa-1,2-diaza-benzo[de]anthracen-3-one;

标识符

InChIKey:
DZRLVSOGARUEGQ-UHFFFAOYSA-N
Inchi:
1S/C20H20N4O2/c1-23-7-9-24(10-8-23)12-13-5-6-16-15(11-13)19-18-14(20(25)22-21-19)3-2-4-17(18)26-16/h2-6,11H,7-10,12H2,1H3,(H,22,25)
SMILES:
O1C2C=CC=C3C(NN=C(C=23)C2C1=CC=C(C=2)CN1CCN(C)CC1)=O

10-((4-Methylpiperazin-1-yl)methyl)chromeno(4,3,2-de)phthalazin-3(2H)-one(805242-85-7)物化性质

计算特性

  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 重原子数量 : 26
  • 复杂度 : 586
  • 拓扑分子极性表面积 : 57.2

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