| PDB CCD ID: | 6S7 |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C16 H26 N4 O |
| InChI: | InChI=1S/C16H26N4O/c1-19(2)3-4-21-16-6-15(9-18-10-16)20-11-13-5-14(12-20)8-17-7-13/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3/t13-,14+ |
| InChIKey: | YXMGPQOPWMCEQM-OKILXGFUSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.5 | CN(C)CCOc1cc(cnc1)N2CC3CC(C2)CNC3 | | CACTVS 3.385 | CN(C)CCOc1cncc(c1)N2C[CH]3CNC[CH](C3)C2 | | OpenEye OEToolkits 2.0.5 | CN(C)CCOc1cc(cnc1)N2C[C@@H]3C[C@H](C2)CNC3 | | CACTVS 3.385 | CN(C)CCOc1cncc(c1)N2C[C@H]3CNC[C@H](C3)C2 |
|
| Name: | 2-((5-(3,7-Diazabicyclo[3.3.1]nonan-3-yl)pyridin-3-yl)oxy)-N,N-dimethylethanamine;
2-[5-[(1~{R},5~{S})-3,7-diazabicyclo[3.3.1]nonan-3-yl]pyridin-3-yl]oxy-~{N},~{N}-dimethyl-ethanamine |
| ZINC: | ZINC000203709712 |
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