| PDB CCD ID: | 8KV |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H19 N3 O3 |
| InChI: | InChI=1S/C19H19N3O3/c1-13(21-19(23)22-15-6-4-3-5-7-15)14-8-9-16(17(10-14)24-2)18-11-20-12-25-18/h3-13H,1-2H3,(H2,21,22,23)/t13-/m0/s1 |
| InChIKey: | UDNLNRJCNHAFEZ-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | COc1cc(ccc1c2ocnc2)[C@H](C)NC(=O)Nc3ccccc3 | | ACDLabs 12.01 | c3(NC(NC(C)c1cc(OC)c(cc1)c2cnco2)=O)ccccc3 | | CACTVS 3.385 | COc1cc(ccc1c2ocnc2)[CH](C)NC(=O)Nc3ccccc3 | | OpenEye OEToolkits 2.0.6 | CC(c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 | | OpenEye OEToolkits 2.0.6 | C[C@@H](c1ccc(c(c1)OC)c2cnco2)NC(=O)Nc3ccccc3 |
|
| Name: | N-{(1S)-1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]ethyl}-N'-phenylurea |
| ZINC: | ZINC000584905513 |
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