General Information of the Compound
| Compound ID |
CP0429226
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| Compound Name |
[4-[(4-tert-butylphenyl)carbamoylamino]phenyl]boronic acid
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| Structure |
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| Formula |
C17H21BN2O3
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| Molecular Weight |
312.178
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| Canonical SMILES |
CC(C)(C)c1ccc(NC(=O)Nc2ccc(cc2)B(O)O)cc1
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| InChI |
InChI=1S/C17H21BN2O3/c1-17(2,3)12-4-8-14(9-5-12)19-16(21)20-15-10-6-13(7-11-15)18(22)23/h4-11,22-23H,1-3H3,(H2,19,20,21)
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| InChIKey |
ZYMBURAVXQJKJE-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