General Information of the Compound
| Compound ID |
CP0413672
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| Compound Name |
1-[3,5-bis(trifluoromethyl)phenyl]sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
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| Structure |
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| Formula |
C23H13F6NO2S
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| Molecular Weight |
481.417
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| Canonical SMILES |
Oc1c(cc2ccccc2c1[S+]([O-])c1cc(cc(c1)C(F)(F)F)C(F)(F)F)-c1cccnc1
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| InChI |
InChI=1S/C23H13F6NO2S/c24-22(25,26)15-9-16(23(27,28)29)11-17(10-15)33(32)21-18-6-2-1-4-13(18)8-19(20(21)31)14-5-3-7-30-12-14/h1-12,31H
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| InChIKey |
ZNYRHDNROGUUFD-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