Cpi-cdpi(2)
基本情報
- CAS
114251-19-3- 標準SMILES
Cc1c[nH]c2c1[C@@]13C[C@@H]1CN(C(=O)c1cc4c5c(ccc4[nH]1)N(C(=O)c1cc4c6c(ccc4[nH]1)N(C(N)=O)CC6)CC5)C3=CC2=O- InChIKey
SNYJVTXPSXNUSZ-FXTIPPFDSA-N- 分子式
- C35H29N7O4
- 平均分子量
- 611.6 g/mol
- 単同位体質量
- 611.22810243
概要
syntheic analog of CC-1065; structure given in first source
名称と識別子
- 優先名称
- Cpi-cdpi(2)
- IUPAC
- 2-[2-[(1R,12S)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
名称と別名
Cpi-cdpi(2)114251-19-3CPI-CDPI2RefChem:128351(+)-Cpi-cdpi2U-78057SCHEMBL31497435(+)-Ab'C'U 780577-((1,6-Dihydro-7-((4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa(C)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)benzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, (8aS)-7-((1,6-Dihydro-7-((4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa(c)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)benzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydrobenzo(1,2-b:4,3-b')dipyrrole-3(2H)-oneBenzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((1,6-dihydro-7-((4,5,8,8a-tetrahydro-7-methyl-4-oxacyclopropa(c)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)benzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (8aS)-
名称をさらに表示
Benzo(1,2-b:4,3-b')dipyrrole-3(2H)-carboxamide, 7-((1,6-dihydro-7-((4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa(c)pyrrolo(3,2-e)indol-2(1H)-yl)carbonyl)benzo(1,2-b:4,3-b')dipyrrol-3(2H)-yl)carbonyl)-1,6-dihydro-, (7bR)-
物性
構造計算による物性
- XLogP
- 3.2
- 極性表面積
- 151 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 4
- 回転可能結合数
- 2
- 重原子数
- 46
- 形式電荷
- 0
- 複雑度
- 1,430
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