General Information of the Compound
| Compound ID |
CP0561313
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| Compound Name |
1-methyl-2-oxo-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
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| Formula |
C17H15F3N6O2
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| Molecular Weight |
392.341
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| Canonical SMILES |
C[C@H](n1cnnc1-c1cccc(NC(=O)c2cccn(C)c2=O)n1)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N6O2/c1-10(17(18,19)20)26-9-21-24-14(26)12-6-3-7-13(22-12)23-15(27)11-5-4-8-25(2)16(11)28/h3-10H,1-2H3,(H,22,23,27)/t10-/m0/s1
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| InChIKey |
AOYMSJGLPMXFDW-JTQLQIEISA-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