| PDB CCD ID: | A1AOF |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C14 H18 Cl2 N2 O2 |
| InChI: | InChI=1S/C14H18Cl2N2O2/c15-8-1-9(16)3-11(2-8)20-7-10(19)4-18-14-12-5-17-6-13(12)14/h1-3,10,12-14,17-19H,4-7H2/t10-,12-,13-/m0/s1 |
| InChIKey: | FIVMCSMGUNMJBM-DRZSPHRISA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)OCC(CNC2C3C2CNC3)O | | CACTVS 3.385 | O[CH](CNC1[CH]2CNC[CH]12)COc3cc(Cl)cc(Cl)c3 | | CACTVS 3.385 | O[C@@H](CNC1[C@H]2CNC[C@H]12)COc3cc(Cl)cc(Cl)c3 | | OpenEye OEToolkits 2.0.7 | c1c(cc(cc1Cl)Cl)OC[C@H](CNC2[C@@H]3[C@@H]2CNC3)O | | ACDLabs 12.01 | Clc1cc(cc(Cl)c1)OCC(O)CNC1C2CNCC21 |
|
| Name: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol |
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