General Information of the Compound
| Compound ID |
CP0459780
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| Compound Name |
3,4,5-trimethoxy-N-(4-methoxy-2-nitrophenyl)benzamide
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| Structure |
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| Formula |
C17H18N2O7
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| Molecular Weight |
362.338
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| Canonical SMILES |
COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)[N+]([O-])=O
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| InChI |
InChI=1S/C17H18N2O7/c1-23-11-5-6-12(13(9-11)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20)
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| InChIKey |
CVHKFMZCEACBLK-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