General Information of the Compound
| Compound ID |
CP0558326
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| Compound Name |
[4-(4-fluoroanilino)pyrimidin-5-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
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| Structure |
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| Formula |
C17H19FN4O3S
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| Molecular Weight |
378.429
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(=O)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C17H19FN4O3S/c1-26(24,25)22-8-6-12(7-9-22)16(23)15-10-19-11-20-17(15)21-14-4-2-13(18)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,19,20,21)
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| InChIKey |
YKGKVGZCRHEOMU-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