General Information of the Compound
| Compound ID |
CP0386560
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| Compound Name |
7-[(3,4-Difluorobenzyl)oxy]-4-(1H-imidazol-1-ylmethyl)-2H-chromen-2-one
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| Structure |
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| Formula |
C20H14F2N2O3
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| Molecular Weight |
368.339
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| Canonical SMILES |
Fc1ccc(COc2ccc3c(Cn4ccnc4)cc(=O)oc3c2)cc1F
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| InChI |
InChI=1S/C20H14F2N2O3/c21-17-4-1-13(7-18(17)22)11-26-15-2-3-16-14(10-24-6-5-23-12-24)8-20(25)27-19(16)9-15/h1-9,12H,10-11H2
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| InChIKey |
TUPAPEGOVMHAJY-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