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| Ligand ID | N60 |
| InChI | InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1 |
| InChIKey | OJPLJFIFUQPSJR-INIZCTEOSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1c2ccccc2-c3ccccc3NC1=O | | CACTVS 3.385 | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@@H]1C(=O)Nc2ccccc2c3ccccc13 | | CACTVS 3.385 | CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[CH]1C(=O)Nc2ccccc2c3ccccc13 | | OpenEye OEToolkits 2.0.7 | CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)NC1c2ccccc2-c3ccccc3NC1=O |
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| Formula | C22 H20 F5 N3 O3 |
| Name | 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;
RO4929097;
KK8645V7LE |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 8kco Chain B Residue 501
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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