General Information of the Compound
| Compound ID |
CP0392224
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| Compound Name |
N-(4-bromo-2-nitrophenyl)-3,4,5-trimethoxybenzamide
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| Structure |
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| Formula |
C16H15BrN2O6
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| Molecular Weight |
411.208
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
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| InChI |
InChI=1S/C16H15BrN2O6/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(20)18-11-5-4-10(17)8-12(11)19(21)22/h4-8H,1-3H3,(H,18,20)
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| InChIKey |
BIYFVVFQLBECRQ-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