| PDB CCD ID: | JE3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H14 F N3 O2 |
| InChI: | InChI=1S/C14H14FN3O2/c1-7(12-13(19)18-14(16-2)20-12)8-6-17-10-5-3-4-9(15)11(8)10/h3-7,12,17H,1-2H3,(H,16,18,19)/t7-,12+/m1/s1 |
| InChIKey: | RPLLAXTXYOESKS-KRTXAFLBSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(c1c[nH]c2c1c(ccc2)F)C3C(=O)N=C(O3)NC | | CACTVS 3.385 | CNC1=NC(=O)[CH](O1)[CH](C)c2c[nH]c3cccc(F)c23 | | CACTVS 3.385 | CNC1=NC(=O)[C@@H](O1)[C@H](C)c2c[nH]c3cccc(F)c23 | | OpenEye OEToolkits 2.0.7 | C[C@H](c1c[nH]c2c1c(ccc2)F)[C@H]3C(=O)N=C(O3)NC |
|
| Name: | (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one |
| ChEMBL: | CHEMBL5197708 |
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