A0X
Summary
| Name: | 4^6-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-14-oxo-5-oxa-13-aza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclotetradecaphan-2-yne-4^5-carboxamide |
| Formula: | C35 H32 F3 N7 O3 |
| Formal charge: | 0 |
| Formula weight: | 655.669 Da |
| Component type: | non-polymer |
| Ambiguous Chemistry Warning: | The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution. |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C35H32F3N7O3/c1-22-20-44(21-41-22)28-16-25(35(36,37)38)15-26(17-28)42-33(46)30-18-29-14-24(23(30)2)8-9-27-19-40-32-11-10-31(43-45(27)32)34(47)39-12-6-4-3-5-7-13-48-29/h10-11,14-21H,3-7,12-13H2,1-2H3,(H,39,47)(H,42,46) |
| InChIKey | InChI | 1.06 | UUEKSMCPYQPFQV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Cc1cn(cn1)c2cc(NC(=O)c3cc4OCCCCCCCNC(=O)c5ccc6ncc(C#Cc(c4)c3C)n6n5)cc(c2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4cc(c3C)C#Cc5cnc6n5nc(cc6)C(=O)NCCCCCCCO4)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cn(cn1)c2cc(cc(c2)NC(=O)c3cc4cc(c3C)C#Cc5cnc6n5nc(cc6)C(=O)NCCCCCCCO4)C(F)(F)F |
