| PDB CCD ID: | O41 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H19 N3 O4 S |
| InChI: | InChI=1S/C13H19N3O4S/c1-21(18,19)16-6-4-10(5-7-16)14-13(17)11-8-12(20-15-11)9-2-3-9/h8-10H,2-7H2,1H3,(H,14,17) |
| InChIKey: | KHFWLXQEZOVIGK-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | C[S](=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 | | OpenEye OEToolkits 2.0.7 | CS(=O)(=O)N1CCC(CC1)NC(=O)c2cc(on2)C3CC3 | | ACDLabs 12.01 | C1N(CCC(C1)NC(=O)c3cc(C2CC2)on3)S(C)(=O)=O |
|
| Name: | 5-cyclopropyl-N-[1-(methylsulfonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide |
| ChEMBL: | CHEMBL4461007 |
| ZINC: | ZINC000040497334 |
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