General Information of the Compound
| Compound ID |
CP0169110
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| Compound Name |
3-((1H-imidazol-1-yl)methyl)-2-(4-nitrophenyl)-4H-chromen-4-one
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| Synonyms |
3-(imidazolylmethyl)-4''-nitroflavone
3-(imidazolylmethyl)-4'-nitroflavone
BDBM50191598
CHEMBL213588
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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)-c1oc2ccccc2c(=O)c1Cn1ccnc1
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| InChI |
InChI=1S/C19H13N3O4/c23-18-15-3-1-2-4-17(15)26-19(16(18)11-21-10-9-20-12-21)13-5-7-14(8-6-13)22(24)25/h1-10,12H,11H2
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| InChIKey |
QRPSGPSYOIPDIF-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
Clinical Information about the Compound