General Information of the Compound
| Compound ID |
CP0552588
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| Compound Name |
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1-benzofuran-2-carboxamide
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| Structure |
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| Formula |
C19H17N5O2
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| Molecular Weight |
347.378
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccccc3o2)n1
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| InChI |
InChI=1S/C19H17N5O2/c1-12(2)24-11-20-23-18(24)14-7-5-9-17(21-14)22-19(25)16-10-13-6-3-4-8-15(13)26-16/h3-12H,1-2H3,(H,21,22,25)
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| InChIKey |
ONGLJQBCXBRPTJ-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