General Information of the Compound
| Compound ID |
CP0393812
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| Compound Name |
[4-(4-fluoroanilino)pyrimidin-5-yl]-(1-methylsulfonylpyrrolidin-3-yl)methanol
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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(C1)C(O)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C16H19FN4O3S/c1-25(23,24)21-7-6-11(9-21)15(22)14-8-18-10-19-16(14)20-13-4-2-12(17)3-5-13/h2-5,8,10-11,15,22H,6-7,9H2,1H3,(H,18,19,20)
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| InChIKey |
NMQSZTPFFUGIPB-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