43H
[1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid
Created: | 2015-01-26 |
Last modified: | 2015-04-15 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | [1-(biphenyl-3-yl)-5-hydroxy-4-oxo-1,4-dihydropyridin-3-yl]boronic acid |
Systematic Name (OpenEye OEToolkits) | [5-oxidanyl-4-oxidanylidene-1-(3-phenylphenyl)pyridin-3-yl]boronic acid |
Formula | C17 H14 B N O4 |
Molecular Weight | 307.108 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C3C(=CN(c2cccc(c1ccccc1)c2)C=C3O)B(O)O |
SMILES | CACTVS | 3.385 | OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 1.9.2 | B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O |
Canonical SMILES | CACTVS | 3.385 | OB(O)C1=CN(C=C(O)C1=O)c2cccc(c2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | B(C1=CN(C=C(C1=O)O)c2cccc(c2)c3ccccc3)(O)O |
InChI | InChI | 1.03 | InChI=1S/C17H14BNO4/c20-16-11-19(10-15(17(16)21)18(22)23)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,20,22-23H |
InChIKey | InChI | 1.03 | RJVMGRMKRJSOAH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3425744 |
PubChem | 53379376 |
ChEMBL | CHEMBL3425744 |