General Information of the Compound
| Compound ID |
CP0387584
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| Compound Name |
3,4-dihydroxy-5-methoxy-N-(4-methoxy-2-nitrophenyl)benzamide
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| Structure |
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| Formula |
C15H14N2O7
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| Molecular Weight |
334.284
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H14N2O7/c1-23-9-3-4-10(11(7-9)17(21)22)16-15(20)8-5-12(18)14(19)13(6-8)24-2/h3-7,18-19H,1-2H3,(H,16,20)
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| InChIKey |
XYKNLOZFSPQQES-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