General Information of the Compound
| Compound ID |
CP0000228
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| Compound Name |
2-(5-nitro-1H-indol-3-yl)-N-(4-nitrobenzyl)-2-oxoacetamide
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| Structure |
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| Formula |
C17H12N4O6
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| Molecular Weight |
368.305
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C17H12N4O6/c22-16(14-9-18-15-6-5-12(21(26)27)7-13(14)15)17(23)19-8-10-1-3-11(4-2-10)20(24)25/h1-7,9,18H,8H2,(H,19,23)
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| InChIKey |
WONGJCVMNCAMKQ-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