General Information of the Compound
| Compound ID |
CP0083030
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| Compound Name |
11H-2,5,11-triaza-benzo[a]trindene-1,3,4,6-tetraone
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| Synonyms |
9H-Carbazole-1,2:3,4-bisdicarbimide
BDBM50220067
BIS-IMIDE A
CHEMBL388648
SCHEMBL5879127
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| Structure |
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| Formula |
C16H7N3O4
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| Molecular Weight |
305.249
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| Canonical SMILES |
O=c1[nH]c(=O)c2c1c1[nH]c3ccccc3c1c1c2c(=O)[nH]c1=O
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| InChI |
InChI=1S/C16H7N3O4/c20-13-8-7-5-3-1-2-4-6(5)17-12(7)11-10(9(8)14(21)18-13)15(22)19-16(11)23/h1-4,17H,(H,18,20,21)(H,19,22,23)
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| InChIKey |
IZHSJTMCSHXFHX-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 = 9700 nM
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TI
LI
LO
TS
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| CL000266 | L1210 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 = 32700 nM
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TI
LI
LO
TS
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Clinical Information about the Compound