General Information of the Compound
| Compound ID |
CP0393711
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| Compound Name |
[4-(4-fluoroanilino)pyrimidin-5-yl]-piperidin-4-ylmethanol
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| Structure |
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| Formula |
C16H19FN4O
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| Molecular Weight |
302.353
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| Canonical SMILES |
OC(C1CCNCC1)c1cncnc1Nc1ccc(F)cc1
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| InChI |
InChI=1S/C16H19FN4O/c17-12-1-3-13(4-2-12)21-16-14(9-19-10-20-16)15(22)11-5-7-18-8-6-11/h1-4,9-11,15,18,22H,5-8H2,(H,19,20,21)
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| InChIKey |
MFOPOLKVPVWJLF-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