General Information of the Compound
| Compound ID |
CP0503889
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| Compound Name |
2,2-dimethyl-3-(4-nitroanilino)-3H-benzo[g][1]benzofuran-4,5-dione
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| Structure |
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| Formula |
C20H16N2O5
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| Molecular Weight |
364.357
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| Canonical SMILES |
CC1(C)OC2=C(C1Nc1ccc(cc1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
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| InChI |
InChI=1S/C20H16N2O5/c1-20(2)19(21-11-7-9-12(10-8-11)22(25)26)15-17(24)16(23)13-5-3-4-6-14(13)18(15)27-20/h3-10,19,21H,1-2H3
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| InChIKey |
XOXKVAOVWLVYET-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