General Information of the Compound
| Compound ID |
CP0565077
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| Compound Name |
N-[(1S)-1-[3-[2-(difluoromethyl)pyridin-4-yl]-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C16H13F5N6O2
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| Molecular Weight |
416.31
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(nn1C)C(F)(F)F)c1nc(no1)-c1ccnc(c1)C(F)F
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| InChI |
InChI=1S/C16H13F5N6O2/c1-7(23-14(28)10-6-11(16(19,20)21)25-27(10)2)15-24-13(26-29-15)8-3-4-22-9(5-8)12(17)18/h3-7,12H,1-2H3,(H,23,28)/t7-/m0/s1
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| InChIKey |
MCURJTIQCCBRFF-ZETCQYMHSA-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: PT06983, Potassium channel subfamily T member 1
Protein ID: PT07467, Potassium channel subfamily T member 1