General Information of the Compound
| Compound ID |
CP0377737
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| Compound Name |
1-(3-chloro-4-fluorophenyl)sulfinyl-3-pyridin-3-ylnaphthalen-2-ol
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| Structure |
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| Formula |
C21H13ClFNO2S
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| Molecular Weight |
397.858
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| Canonical SMILES |
Oc1c(cc2ccccc2c1[S+]([O-])c1ccc(F)c(Cl)c1)-c1cccnc1
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| InChI |
InChI=1S/C21H13ClFNO2S/c22-18-11-15(7-8-19(18)23)27(26)21-16-6-2-1-4-13(16)10-17(20(21)25)14-5-3-9-24-12-14/h1-12,25H
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| InChIKey |
DGIWZMFJDCOOAM-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