General Information of the Compound
| Compound ID |
CP0459926
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| Compound Name |
2-(2-fluorophenyl)sulfonyl-5-[(5-methylpyridin-3-yl)methyl]pyridine
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| Structure |
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| Formula |
C18H15FN2O2S
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| Molecular Weight |
342.395
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| Canonical SMILES |
Cc1cncc(Cc2ccc(nc2)S(=O)(=O)c2ccccc2F)c1
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| InChI |
InChI=1S/C18H15FN2O2S/c1-13-8-15(11-20-10-13)9-14-6-7-18(21-12-14)24(22,23)17-5-3-2-4-16(17)19/h2-8,10-12H,9H2,1H3
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| InChIKey |
STMUUKLBMSWVHT-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