General Information of the Compound
| Compound ID |
CP0497159
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| Compound Name |
N-[2-(3,4-dihydroxyphenyl)ethyl]-N'-(3-nitrophenyl)oxamide
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| Structure |
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| Formula |
C16H15N3O6
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| Molecular Weight |
345.311
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| Canonical SMILES |
Oc1ccc(CCNC(=O)C(=O)Nc2cccc(c2)[N+]([O-])=O)cc1O
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| InChI |
InChI=1S/C16H15N3O6/c20-13-5-4-10(8-14(13)21)6-7-17-15(22)16(23)18-11-2-1-3-12(9-11)19(24)25/h1-5,8-9,20-21H,6-7H2,(H,17,22)(H,18,23)
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| InChIKey |
GJUYPXRPOBGIPE-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