General Information of the Compound
| Compound ID |
CP0431618
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| Compound Name |
3,4,5-trihydroxy-N-(2-nitro-4-phenylphenyl)benzamide
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| Structure |
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| Formula |
C19H14N2O6
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| Molecular Weight |
366.329
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| Canonical SMILES |
Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C19H14N2O6/c22-16-9-13(10-17(23)18(16)24)19(25)20-14-7-6-12(8-15(14)21(26)27)11-4-2-1-3-5-11/h1-10,22-24H,(H,20,25)
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| InChIKey |
XYJIXRKQRPDXOA-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