PDB CCD ID: | S45 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C13 H14 Cl N3 O |
InChI: | InChI=1S/C13H14ClN3O/c14-11-5-3-9(4-6-11)12-16-13(18-17-12)10-2-1-7-15-8-10/h3-6,10,15H,1-2,7-8H2/t10-/m1/s1 |
InChIKey: | ROGHUOMPUVCGAA-SNVBAGLBSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | c1cc(ccc1c2nc(on2)[C@@H]3CCCNC3)Cl | OpenEye OEToolkits 1.5.0 | c1cc(ccc1c2nc(on2)C3CCCNC3)Cl | CACTVS 3.341 | Clc1ccc(cc1)c2noc(n2)[CH]3CCCNC3 | CACTVS 3.341 | Clc1ccc(cc1)c2noc(n2)[C@@H]3CCCNC3 | ACDLabs 10.04 | Clc3ccc(c1nc(on1)C2CCCNC2)cc3 |
|
Name: | (3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidine |
ZINC: | ZINC000012114634 |