General Information of the Compound
| Compound ID |
CP0487907
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| Compound Name |
4-(1H-Imidazol-1-ylmethyl)-7-[(4-trifluoromethoxybenzyl)oxy]-2H-chromen-2-one
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| Structure |
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| Formula |
C21H15F3N2O4
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| Molecular Weight |
416.355
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| Canonical SMILES |
FC(F)(F)Oc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1
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| InChI |
InChI=1S/C21H15F3N2O4/c22-21(23,24)30-16-3-1-14(2-4-16)12-28-17-5-6-18-15(11-26-8-7-25-13-26)9-20(27)29-19(18)10-17/h1-10,13H,11-12H2
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| InChIKey |
ZAHRTXYUTYHLLU-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