General Information of the Compound
| Compound ID |
CP0558183
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| Compound Name |
3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1-benzofuran-2-carboxamide
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| Formula |
C20H19N5O2
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| Molecular Weight |
361.405
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2oc3ccccc3c2C)n1
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| InChI |
InChI=1S/C20H19N5O2/c1-12(2)25-11-21-24-19(25)15-8-6-10-17(22-15)23-20(26)18-13(3)14-7-4-5-9-16(14)27-18/h4-12H,1-3H3,(H,22,23,26)
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| InChIKey |
LVTJMPRUBFKDLU-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