General Information of the Compound
| Compound ID |
CP0573440
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| Compound Name |
6-oxo-N-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrimidine-5-carboxamide
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| Formula |
C20H17F3N4O2
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| Molecular Weight |
402.376
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| Canonical SMILES |
CC(C)(NC(=O)c1cnc(nc1O)-c1ccc(cn1)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C20H17F3N4O2/c1-19(2,12-6-4-3-5-7-12)27-18(29)14-11-25-16(26-17(14)28)15-9-8-13(10-24-15)20(21,22)23/h3-11H,1-2H3,(H,27,29)(H,25,26,28)
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| InChIKey |
LIARHNFHFZOOES-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