General Information of the Compound
| Compound ID |
CP0684598
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| Compound Name |
benzo[a]pyrrolo[3,4-c]carbazole-1,3,4,7(2H,8H)-tetraone
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| Structure |
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| Formula |
C18H8N2O4
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| Molecular Weight |
316.272
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| Canonical SMILES |
O=c1ccc(=O)c2c1c1[nH]c3ccccc3c1c1c(=O)[nH]c(=O)c21
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| InChI |
InChI=1S/C18H8N2O4/c21-9-5-6-10(22)13-12(9)15-14(17(23)20-18(15)24)11-7-3-1-2-4-8(7)19-16(11)13/h1-6,19H,(H,20,23,24)
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| InChIKey |
ARFVIJRLJQKBFU-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00865, Serine/threonine-protein kinase Chk1
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000007 | HT-29 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 17400 nM
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TI
LI
LO
TS
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| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5300 nM
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TI
LI
LO
TS
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