General Information of the Compound
| Compound ID |
CP0357678
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| Compound Name |
N-[2-(3-methoxyazetidin-1-yl)-5-(trifluoromethyl)pyridin-4-yl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H19F3N6O2
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| Molecular Weight |
432.406
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| Canonical SMILES |
COC1CN(C1)c1cc(NC(=O)c2cccc(n2)-c2cnn(C)c2)c(cn1)C(F)(F)F
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| InChI |
InChI=1S/C20H19F3N6O2/c1-28-9-12(7-25-28)15-4-3-5-16(26-15)19(30)27-17-6-18(29-10-13(11-29)31-2)24-8-14(17)20(21,22)23/h3-9,13H,10-11H2,1-2H3,(H,24,27,30)
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| InChIKey |
KHTCIOWVELAJLF-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