General Information of the Compound
| Compound ID |
CP0489240
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| Compound Name |
7-[(3,4-dimethoxyphenyl)methoxy]-4-(imidazol-1-ylmethyl)chromen-2-one
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| Structure |
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| Formula |
C22H20N2O5
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| Molecular Weight |
392.411
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| Canonical SMILES |
COc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1OC
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| InChI |
InChI=1S/C22H20N2O5/c1-26-19-6-3-15(9-21(19)27-2)13-28-17-4-5-18-16(12-24-8-7-23-14-24)10-22(25)29-20(18)11-17/h3-11,14H,12-13H2,1-2H3
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| InChIKey |
PTUQCGLQQXQJTC-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