General Information of the Compound
| Compound ID |
CP0568645
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| Compound Name |
[3-[(3-phenylmethoxybenzoyl)amino]phenyl]boronic acid
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| Structure |
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| Formula |
C20H18BNO4
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| Molecular Weight |
347.179
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| Canonical SMILES |
OB(O)c1cccc(NC(=O)c2cccc(OCc3ccccc3)c2)c1
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| InChI |
InChI=1S/C20H18BNO4/c23-20(22-18-10-5-9-17(13-18)21(24)25)16-8-4-11-19(12-16)26-14-15-6-2-1-3-7-15/h1-13,24-25H,14H2,(H,22,23)
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| InChIKey |
KRIDDIQVJKNUMX-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