General Information of the Compound
| Compound ID |
CP0544642
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| Compound Name |
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-3-[(3-methylphenyl)methoxy]benzamide
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| Structure |
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| Formula |
C22H20BNO4
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| Molecular Weight |
373.217
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| Canonical SMILES |
Cc1cccc(COc2cccc(c2)C(=O)Nc2ccc3COB(O)c3c2)c1
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| InChI |
InChI=1S/C22H20BNO4/c1-15-4-2-5-16(10-15)13-27-20-7-3-6-17(11-20)22(25)24-19-9-8-18-14-28-23(26)21(18)12-19/h2-12,26H,13-14H2,1H3,(H,24,25)
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| InChIKey |
FPKBPHYZHFUQTD-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