General Information of the Compound
| Compound ID |
CP0002684
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| Compound Name |
N-[(4-methoxyphenyl)methyl]-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide
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| Structure |
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| Formula |
C18H15N3O5
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| Molecular Weight |
353.334
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| Canonical SMILES |
COc1ccc(CNC(=O)C(=O)c2c[nH]c3ccc(cc23)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C18H15N3O5/c1-26-13-5-2-11(3-6-13)9-20-18(23)17(22)15-10-19-16-7-4-12(21(24)25)8-14(15)16/h2-8,10,19H,9H2,1H3,(H,20,23)
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| InChIKey |
SNEWVMXJSABDSK-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