General Information of the Compound
| Compound ID |
CP0543002
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| Compound Name |
3-(cyclohexylmethoxy)-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)benzamide
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| Structure |
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| Formula |
C21H24BNO4
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| Molecular Weight |
365.238
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| Canonical SMILES |
OB1OCc2ccc(NC(=O)c3cccc(OCC4CCCCC4)c3)cc12
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| InChI |
InChI=1S/C21H24BNO4/c24-21(23-18-10-9-17-14-27-22(25)20(17)12-18)16-7-4-8-19(11-16)26-13-15-5-2-1-3-6-15/h4,7-12,15,25H,1-3,5-6,13-14H2,(H,23,24)
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| InChIKey |
XYMZSYOPXHKMOA-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