General Information of the Compound
| Compound ID |
CP0522655
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| Compound Name |
3-(4-fluoro-3-nitroanilino)-2,2-dimethyl-3H-benzo[g][1]benzofuran-4,5-dione
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| Structure |
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| Formula |
C20H15FN2O5
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| Molecular Weight |
382.347
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| Canonical SMILES |
CC1(C)OC2=C(C1Nc1ccc(F)c(c1)[N+]([O-])=O)C(=O)C(=O)c1ccccc21
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| InChI |
InChI=1S/C20H15FN2O5/c1-20(2)19(22-10-7-8-13(21)14(9-10)23(26)27)15-17(25)16(24)11-5-3-4-6-12(11)18(15)28-20/h3-9,19,22H,1-2H3
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| InChIKey |
HMKIICIVRKQVLD-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