General Information of the Compound
| Compound ID |
CP0474176
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| Compound Name |
[4-[2-oxo-2-(4-phenylbutylamino)ethyl]phenyl]boronic acid
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| Structure |
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| Formula |
C18H22BNO3
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| Molecular Weight |
311.19
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| Canonical SMILES |
OB(O)c1ccc(CC(=O)NCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C18H22BNO3/c21-18(14-16-9-11-17(12-10-16)19(22)23)20-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,22-23H,4-5,8,13-14H2,(H,20,21)
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| InChIKey |
HYMDFOPXRZCAFN-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