General Information of the Compound
| Compound ID |
CP0390488
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| Compound Name |
[2-methoxy-4-[(8-phenyloctanoylamino)methyl]phenyl]boronic acid
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| Structure |
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| Formula |
C22H30BNO4
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| Molecular Weight |
383.297
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| Canonical SMILES |
COc1cc(CNC(=O)CCCCCCCc2ccccc2)ccc1B(O)O
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| InChI |
InChI=1S/C22H30BNO4/c1-28-21-16-19(14-15-20(21)23(26)27)17-24-22(25)13-9-4-2-3-6-10-18-11-7-5-8-12-18/h5,7-8,11-12,14-16,26-27H,2-4,6,9-10,13,17H2,1H3,(H,24,25)
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| InChIKey |
RDYFCDGWVPAYLE-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