General Information of the Compound
| Compound ID |
CP0544641
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| Compound Name |
[4-[[(3-phenylmethoxybenzoyl)amino]methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C21H20BNO4
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| Molecular Weight |
361.206
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| Canonical SMILES |
OB(O)c1ccc(CNC(=O)c2cccc(OCc3ccccc3)c2)cc1
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| InChI |
InChI=1S/C21H20BNO4/c24-21(23-14-16-9-11-19(12-10-16)22(25)26)18-7-4-8-20(13-18)27-15-17-5-2-1-3-6-17/h1-13,25-26H,14-15H2,(H,23,24)
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| InChIKey |
KNLGDMYWBWLWNZ-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