General Information of the Compound
| Compound ID |
CP0385973
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| Compound Name |
[4-(8-phenyloctanoylamino)phenyl]boronic acid
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| Structure |
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| Formula |
C20H26BNO3
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| Molecular Weight |
339.244
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| Canonical SMILES |
OB(O)c1ccc(NC(=O)CCCCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C20H26BNO3/c23-20(22-19-15-13-18(14-16-19)21(24)25)12-8-3-1-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11,13-16,24-25H,1-3,5,8-9,12H2,(H,22,23)
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| InChIKey |
NPCGDMHWXJMRRT-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