General Information of the Compound
| Compound ID |
CP0515296
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| Compound Name |
[4-(4-phenylbutylcarbamoyl)phenyl]boronic acid
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| Structure |
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| Formula |
C17H20BNO3
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| Molecular Weight |
297.163
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| Canonical SMILES |
OB(O)c1ccc(cc1)C(=O)NCCCCc1ccccc1
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| InChI |
InChI=1S/C17H20BNO3/c20-17(15-9-11-16(12-10-15)18(21)22)19-13-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-12,21-22H,4-5,8,13H2,(H,19,20)
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| InChIKey |
NOGZPPQOFGHNLA-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