General Information of the Compound
| Compound ID |
CP0215527
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| Compound Name |
3-((1H-imidazol-1-yl)methyl)-2-(4-methoxyphenyl)-4H-chromen-4-one
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| Synonyms |
3-(imidazolylmethyl)-4''-methoxyflavone
3-(imidazolylmethyl)-4'-methoxyflavone
BDBM50191600
CHEMBL212473
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| Structure |
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| Formula |
C20H16N2O3
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| Molecular Weight |
332.359
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| Canonical SMILES |
COc1ccc(cc1)-c1oc2ccccc2c(=O)c1Cn1ccnc1
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| InChI |
InChI=1S/C20H16N2O3/c1-24-15-8-6-14(7-9-15)20-17(12-22-11-10-21-13-22)19(23)16-4-2-3-5-18(16)25-20/h2-11,13H,12H2,1H3
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| InChIKey |
GMZSVBKZQWIFKJ-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