| PDB CCD ID: | YJ3 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H18 N6 O2 |
| InChI: | InChI=1S/C19H18N6O2/c1-2-12(10-15(3-1)26-14-6-8-20-9-7-14)18-16-11-13(19-21-24-25-22-19)4-5-17(16)23-27-18/h1-5,10-11,14,20H,6-9H2,(H,21,22,24,25) |
| InChIKey: | FXFKJFJHJWBHQJ-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c1c(ccc2noc(c12)c1cccc(OC2CCNCC2)c1)c1n[NH]nn1 | | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)OC2CCNCC2)c3c4cc(ccc4no3)c5n[nH]nn5 | | CACTVS 3.385 | C1CC(CCN1)Oc2cccc(c2)c3onc4ccc(cc34)c5n[nH]nn5 |
|
| Name: | (3P,5P)-3-{3-[(piperidin-4-yl)oxy]phenyl}-5-(2H-tetrazol-5-yl)-2,1-benzoxazole |
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