General Information of the Compound
| Compound ID |
CP0474328
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| Compound Name |
1-[4-(4-fluoroanilino)pyrimidin-5-yl]-1-(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 |
CC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C18H23FN4O3S/c1-18(24,13-7-9-23(10-8-13)27(2,25)26)16-11-20-12-21-17(16)22-15-5-3-14(19)4-6-15/h3-6,11-13,24H,7-10H2,1-2H3,(H,20,21,22)
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| InChIKey |
QYPYIXDNCYSWRV-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
Protein ID: PT06518, Cytochrome P450 11B2, mitochondrial