General Information of the Compound
| Compound ID |
CP0547401
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| Compound Name |
1-[4-(4-fluoroanilino)pyrimidin-5-yl]butan-1-ol
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| Structure |
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| Formula |
C14H16FN3O
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| Molecular Weight |
261.3
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| Canonical SMILES |
CCCC(O)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C14H16FN3O/c1-2-3-13(19)12-8-16-9-17-14(12)18-11-6-4-10(15)5-7-11/h4-9,13,19H,2-3H2,1H3,(H,16,17,18)
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| InChIKey |
YULPDWTURLQENF-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