| PDB CCD ID: | A1AHJ |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H26 Cl2 N2 O |
| InChI: | InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+ |
| InChIKey: | GSJIGYLGKSBYBC-OSYLJGHBSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CC(C)(C)CCN1C[C@@H]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[C@@H]2C1 | | ACDLabs 12.01 | Clc1cc(cc(Cl)c1)C(=O)NCC1C2CN(CCC(C)(C)C)CC21 | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CCN1CC2C(C1)C2CNC(=O)c3cc(cc(c3)Cl)Cl | | OpenEye OEToolkits 2.0.7 | CC(C)(C)CCN1C[C@@H]2[C@H](C1)C2CNC(=O)c3cc(cc(c3)Cl)Cl | | CACTVS 3.385 | CC(C)(C)CCN1C[CH]2C(CNC(=O)c3cc(Cl)cc(Cl)c3)[CH]2C1 |
|
| Name: | 3,5-dichloro-N-{[(1R,5S,6r)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl}benzamide |
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