General Information of the Compound
| Compound ID |
CP0519417
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| Compound Name |
4-[4-(4-fluoroanilino)pyrimidin-5-yl]-1-methylsulfonylpiperidin-4-ol
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| Structure |
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| Formula |
C16H19FN4O3S
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| Molecular Weight |
366.418
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| Canonical SMILES |
CS(=O)(=O)N1CCC(O)(CC1)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C16H19FN4O3S/c1-25(23,24)21-8-6-16(22,7-9-21)14-10-18-11-19-15(14)20-13-4-2-12(17)3-5-13/h2-5,10-11,22H,6-9H2,1H3,(H,18,19,20)
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| InChIKey |
HGSWCROYNGWCCJ-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: PT03120, Cytochrome P450 11B2, mitochondrial
Protein ID: PT06518, Cytochrome P450 11B2, mitochondrial