General Information of the Compound
| Compound ID |
CP0431621
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| Compound Name |
3-methoxy-5-[(2-nitro-4-phenylanilino)methyl]benzene-1,2-diol
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| Structure |
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| Formula |
C20H18N2O5
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| Molecular Weight |
366.373
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| Canonical SMILES |
COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
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| InChI |
InChI=1S/C20H18N2O5/c1-27-19-10-13(9-18(23)20(19)24)12-21-16-8-7-15(11-17(16)22(25)26)14-5-3-2-4-6-14/h2-11,21,23-24H,12H2,1H3
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| InChIKey |
PNGAFGFEWZBQIS-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