General Information of the Compound
| Compound ID |
CP0231946
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| Compound Name |
[4,4-difluoro-3-[6-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
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| Structure |
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| Formula |
C20H16F5N5O2
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| Molecular Weight |
453.371
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| Canonical SMILES |
FC(F)(F)c1cccc(OC2CN(CCC2(F)F)C(=O)c2ccccc2-n2nccn2)n1
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| InChI |
InChI=1S/C20H16F5N5O2/c21-19(22)8-11-29(12-16(19)32-17-7-3-6-15(28-17)20(23,24)25)18(31)13-4-1-2-5-14(13)30-26-9-10-27-30/h1-7,9-10,16H,8,11-12H2
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| InChIKey |
DZDPAFXUWUCWBW-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