General Information of the Compound
| Compound ID |
CP0543001
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| Compound Name |
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-6-phenylmethoxypyridine-2-carboxamide
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| Structure |
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| Formula |
C20H17BN2O4
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| Molecular Weight |
360.178
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| Canonical SMILES |
OB1OCc2ccc(NC(=O)c3cccc(OCc4ccccc4)n3)cc12
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| InChI |
InChI=1S/C20H17BN2O4/c24-20(22-16-10-9-15-13-27-21(25)17(15)11-16)18-7-4-8-19(23-18)26-12-14-5-2-1-3-6-14/h1-11,25H,12-13H2,(H,22,24)
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| InChIKey |
HYVRWWCUPYAFTR-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