General Information of the Compound
| Compound ID |
CP0002470
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| Compound Name |
2-(1H-Indol-3-yl)-N-(4-nitro-benzyl)-2-oxo-acetamide
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| Structure |
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| Formula |
C17H13N3O4
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| Molecular Weight |
323.308
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CNC(=O)C(=O)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C17H13N3O4/c21-16(14-10-18-15-4-2-1-3-13(14)15)17(22)19-9-11-5-7-12(8-6-11)20(23)24/h1-8,10,18H,9H2,(H,19,22)
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| InChIKey |
SQVFGSDZEHNBTN-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