General Information of the Compound
| Compound ID |
CP0493473
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| Compound Name |
1-[4-(4-fluoroanilino)pyrimidin-5-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanol
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| Structure |
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| Formula |
C18H23FN4O3S
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| Molecular Weight |
394.472
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC(O)c2cncnc2Nc2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C18H23FN4O3S/c1-27(25,26)23-8-6-13(7-9-23)10-17(24)16-11-20-12-21-18(16)22-15-4-2-14(19)3-5-15/h2-5,11-13,17,24H,6-10H2,1H3,(H,20,21,22)
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| InChIKey |
NEGPECKYOMCCBM-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