General Information of the Compound
| Compound ID |
CP0388761
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| Compound Name |
[4-[[(4-tert-butylphenyl)carbamoylamino]methyl]-2-methoxyphenyl]boronic acid
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| Structure |
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| Formula |
C19H25BN2O4
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| Molecular Weight |
356.231
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| Canonical SMILES |
COc1cc(CNC(=O)Nc2ccc(cc2)C(C)(C)C)ccc1B(O)O
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| InChI |
InChI=1S/C19H25BN2O4/c1-19(2,3)14-6-8-15(9-7-14)22-18(23)21-12-13-5-10-16(20(24)25)17(11-13)26-4/h5-11,24-25H,12H2,1-4H3,(H2,21,22,23)
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| InChIKey |
ANLHFFUCNTWGQE-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