General Information of the Compound
| Compound ID |
CP0519418
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| Compound Name |
1-[4-(4-fluoroanilino)pyrimidin-5-yl]-1-(1-methylsulfonylpiperidin-4-yl)pentan-1-ol
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| Structure |
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| Formula |
C21H29FN4O3S
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| Molecular Weight |
436.553
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| Canonical SMILES |
CCCCC(O)(C1CCN(CC1)S(C)(=O)=O)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C21H29FN4O3S/c1-3-4-11-21(27,16-9-12-26(13-10-16)30(2,28)29)19-14-23-15-24-20(19)25-18-7-5-17(22)6-8-18/h5-8,14-16,27H,3-4,9-13H2,1-2H3,(H,23,24,25)
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| InChIKey |
CFTMPALTDMJTEX-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