General Information of the Compound
| Compound ID |
CP0455581
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| Compound Name |
[2-methoxy-4-[(6-phenylhexanoylamino)methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C20H26BNO4
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| Molecular Weight |
355.243
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| Canonical SMILES |
COc1cc(CNC(=O)CCCCCc2ccccc2)ccc1B(O)O
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| InChI |
InChI=1S/C20H26BNO4/c1-26-19-14-17(12-13-18(19)21(24)25)15-22-20(23)11-7-3-6-10-16-8-4-2-5-9-16/h2,4-5,8-9,12-14,24-25H,3,6-7,10-11,15H2,1H3,(H,22,23)
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| InChIKey |
LONYUEKHWKYNJK-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