General Information of the Compound
| Compound ID |
CP0289962
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| Compound Name |
3-((1H-imidazol-1-yl)methyl)-2-phenyl-4H-chromen-4-one
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| Synonyms |
3-(imidazolylmethyl)flavone
BDBM50191599
CHEMBL213587
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| Structure |
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| Formula |
C19H14N2O2
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| Molecular Weight |
302.333
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| Canonical SMILES |
O=c1c(Cn2ccnc2)c(oc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C19H14N2O2/c22-18-15-8-4-5-9-17(15)23-19(14-6-2-1-3-7-14)16(18)12-21-11-10-20-13-21/h1-11,13H,12H2
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| InChIKey |
CAKKGEJFZFTSEV-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