General Information of the Compound
| Compound ID |
CP0429228
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| Compound Name |
[4-(6-phenylhexanoylamino)phenyl]boronic acid
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| Structure |
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| Formula |
C18H22BNO3
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| Molecular Weight |
311.19
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| Canonical SMILES |
OB(O)c1ccc(NC(=O)CCCCCc2ccccc2)cc1
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| InChI |
InChI=1S/C18H22BNO3/c21-18(20-17-13-11-16(12-14-17)19(22)23)10-6-2-5-9-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,22-23H,2,5-6,9-10H2,(H,20,21)
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| InChIKey |
ODKRRKUUJHNAOJ-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