General Information of the Compound
| Compound ID |
CP0415090
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| Compound Name |
3-((1H-imidazol-1-yl)(4-nitrophenyl)methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C19H13N3O4
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| Molecular Weight |
347.33
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| Canonical SMILES |
[O-][N+](=O)c1ccc(cc1)C(c1coc2ccccc2c1=O)n1ccnc1
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| InChI |
InChI=1S/C19H13N3O4/c23-19-15-3-1-2-4-17(15)26-11-16(19)18(21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-12,18H
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| InChIKey |
GQUCRMYPRQVAIK-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial