General Information of the Compound
| Compound ID |
CP0431622
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| Compound Name |
N-[4-(3-acetylphenyl)-2-nitrophenyl]-3,4-dihydroxy-5-methoxybenzamide
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| Structure |
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| Formula |
C22H18N2O7
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| Molecular Weight |
422.393
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| Canonical SMILES |
COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
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| InChI |
InChI=1S/C22H18N2O7/c1-12(25)13-4-3-5-14(8-13)15-6-7-17(18(9-15)24(29)30)23-22(28)16-10-19(26)21(27)20(11-16)31-2/h3-11,26-27H,1-2H3,(H,23,28)
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| InChIKey |
XNVGCTKHDVGRRB-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