General Information of the Compound
| Compound ID |
CP0564533
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| Compound Name |
[(1R)-2-(1-benzofuran-3-yl)-1-(3-methoxypropanoylamino)ethyl]boronic acid
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| Structure |
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| Formula |
C14H18BNO5
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| Molecular Weight |
291.112
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| Canonical SMILES |
COCCC(=O)N[C@@H](Cc1coc2ccccc12)B(O)O
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| InChI |
InChI=1S/C14H18BNO5/c1-20-7-6-14(17)16-13(15(18)19)8-10-9-21-12-5-3-2-4-11(10)12/h2-5,9,13,18-19H,6-8H2,1H3,(H,16,17)/t13-/m0/s1
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| InChIKey |
DQERLKUHEUIJOF-ZDUSSCGKSA-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