General Information of the Compound
| Compound ID |
CP0472363
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| Compound Name |
2-(benzenesulfonyl)-5-[(5-methylpyridin-3-yl)methyl]pyridine
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| Structure |
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| Formula |
C18H16N2O2S
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| Molecular Weight |
324.405
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| Canonical SMILES |
Cc1cncc(Cc2ccc(nc2)S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C18H16N2O2S/c1-14-9-16(12-19-11-14)10-15-7-8-18(20-13-15)23(21,22)17-5-3-2-4-6-17/h2-9,11-13H,10H2,1H3
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| InChIKey |
TZVJMEQBTCGBMM-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