General Information of the Compound
| Compound ID |
CP0399249
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| Compound Name |
5-methoxy-N-(2-nitro-4-phenylphenyl)-3,4-dioxocyclohexa-1,5-diene-1-carboxamide
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| Structure |
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| Formula |
C20H14N2O6
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| Molecular Weight |
378.34
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| Canonical SMILES |
COC1=CC(=CC(=O)C1=O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
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| InChI |
InChI=1S/C20H14N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)
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| InChIKey |
HFQGAOXYGGQZPA-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