General Information of the Compound
| Compound ID |
CP0492346
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| Compound Name |
N-[1-(2,1,3-benzoxadiazol-5-yl)-3-methyl-1-oxobutan-2-yl]-1-tert-butyl-5-(trifluoromethyl)pyrazole-4-carboxamide
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| Structure |
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| Formula |
C20H22F3N5O3
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| Molecular Weight |
437.422
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| Canonical SMILES |
CC(C)C(NC(=O)c1cnn(c1C(F)(F)F)C(C)(C)C)C(=O)c1ccc2nonc2c1
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| InChI |
InChI=1S/C20H22F3N5O3/c1-10(2)15(16(29)11-6-7-13-14(8-11)27-31-26-13)25-18(30)12-9-24-28(19(3,4)5)17(12)20(21,22)23/h6-10,15H,1-5H3,(H,25,30)
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| InChIKey |
QZOIMDCJCAKBGQ-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