General Information of the Compound
| Compound ID |
CP0495122
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| Compound Name |
3-[(4-cyanophenyl)methoxy]-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)benzamide
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| Structure |
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| Formula |
C22H17BN2O4
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| Molecular Weight |
384.2
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| Canonical SMILES |
OB1OCc2ccc(NC(=O)c3cccc(OCc4ccc(cc4)C#N)c3)cc12
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| InChI |
InChI=1S/C22H17BN2O4/c24-12-15-4-6-16(7-5-15)13-28-20-3-1-2-17(10-20)22(26)25-19-9-8-18-14-29-23(27)21(18)11-19/h1-11,27H,13-14H2,(H,25,26)
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| InChIKey |
LRJPUHDVYUXPIH-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