GRK
4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
Created: | 2018-10-05 |
Last modified: | 2018-10-31 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 38 |
Chiral Atom Count | 0 |
Bond Count | 39 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide |
Systematic Name (OpenEye OEToolkits) | 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide |
Formula | C16 H16 N2 O4 |
Molecular Weight | 300.309 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO |
Canonical SMILES | CACTVS | 3.385 | COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO |
InChI | InChI | 1.03 | InChI=1S/C16H16N2O4/c1-22-14-8-7-12(16(20)18-21)10-13(14)17-15(19)9-11-5-3-2-4-6-11/h2-8,10,21H,9H2,1H3,(H,17,19)(H,18,20) |
InChIKey | InChI | 1.03 | DFZIVCDTMKHRDI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3799265 |
PubChem | 127047413 |
ChEMBL | CHEMBL3799265 |