General Information of the Compound
| Compound ID |
CP0419015
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| Compound Name |
N-[4-(3,4-dihydroxyphenyl)-2-nitrophenyl]-3,4-dihydroxy-5-methoxybenzamide
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| Structure |
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| Formula |
C20H16N2O8
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| Molecular Weight |
412.354
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| Canonical SMILES |
COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C20H16N2O8/c1-30-18-9-12(8-17(25)19(18)26)20(27)21-13-4-2-10(6-14(13)22(28)29)11-3-5-15(23)16(24)7-11/h2-9,23-26H,1H3,(H,21,27)
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| InChIKey |
NIEPDKRLQCFPTD-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02516, Multidrug resistance-associated protein 1