| PDB CCD ID: | S2Q |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C18 H20 N4 O4 S |
| InChI: | InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1 |
| InChIKey: | HRWBSXDFUWMVHN-LLVKDONJSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)c1c2cc(cnc2on1)C(=O)NC(C)c3cccc(c3)S(=O)(=O)N | | OpenEye OEToolkits 2.0.7 | C[C@H](c1cccc(c1)S(=O)(=O)N)NC(=O)c2cc3c(noc3nc2)C(C)C | | CACTVS 3.385 | CC(C)c1noc2ncc(cc12)C(=O)N[C@H](C)c3cccc(c3)[S](N)(=O)=O | | CACTVS 3.385 | CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O |
|
| Name: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide |
| ZINC: | ZINC000012800040 |
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