General Information of the Compound
| Compound ID |
CP0412919
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| Compound Name |
[4-(4-fluoroanilino)pyrimidin-5-yl]-phenylmethanol
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| Structure |
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| Formula |
C17H14FN3O
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| Molecular Weight |
295.317
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| Canonical SMILES |
OC(c1ccccc1)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C17H14FN3O/c18-13-6-8-14(9-7-13)21-17-15(10-19-11-20-17)16(22)12-4-2-1-3-5-12/h1-11,16,22H,(H,19,20,21)
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| InChIKey |
PFPJEJXRUPCTAD-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