| PDB CCD ID: | ZJ9 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C22 H21 N3 O4 |
| InChI: | InChI=1S/C22H21N3O4/c1-25(2)22(28)16-9-7-14(11-19(16)26)20-12-18(24-29-20)21(27)23-17-10-8-13-5-3-4-6-15(13)17/h3-7,9,11-12,17,26H,8,10H2,1-2H3,(H,23,27)/t17-/m1/s1 |
| InChIKey: | IXWUILRSNIQHDM-QGZVFWFLSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[C@@H]3CCc4ccccc34 | | OpenEye OEToolkits 2.0.7 | CN(C)C(=O)c1ccc(cc1O)c2cc(no2)C(=O)N[C@@H]3CCc4c3cccc4 | | OpenEye OEToolkits 2.0.7 | CN(C)C(=O)c1ccc(cc1O)c2cc(no2)C(=O)NC3CCc4c3cccc4 | | CACTVS 3.385 | CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[CH]3CCc4ccccc34 |
|
| Name: | ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide |
| ChEMBL: | CHEMBL4752253 |
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