General Information of the Compound
| Compound ID |
CP0476429
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| Compound Name |
5-benzyl-9-nitro-2-(trifluoromethyl)indolo[2,3-b]quinoxaline
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| Structure |
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| Formula |
C22H13F3N4O2
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| Molecular Weight |
422.366
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc3n(Cc4ccccc4)c4ccc(cc4nc3c2c1)C(F)(F)F
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| InChI |
InChI=1S/C22H13F3N4O2/c23-22(24,25)14-6-9-19-18(10-14)26-20-16-11-15(29(30)31)7-8-17(16)27-21(20)28(19)12-13-4-2-1-3-5-13/h1-11H,12H2
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| InChIKey |
QMOGRBOYUFCILX-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