VY0
Summary
| Name: | macrocyclic inhibitor |
| Formula: | C17 H19 N7 O |
| Formal charge: | 0 |
| Formula weight: | 337.379 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/C17H19N7O/c25-16-13-10-14(24-23-13)21-15-11-6-2-3-7-12(11)20-17(22-15)19-9-5-1-4-8-18-16/h2-3,6-7,10H,1,4-5,8-9H2,(H,18,25)(H3,19,20,21,22,23,24) |
| InChIKey | InChI | 1.06 | XBWKVZHZUZNMJE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2 |
| SMILES | CACTVS | 3.385 | O=C1NCCCCCNc2nc(Nc3cc1[nH]n3)c4ccccc4n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3nc(n2)NCCCCCNC(=O)c4cc(n[nH]4)N3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c3nc(n2)NCCCCCNC(=O)c4cc(n[nH]4)N3 |
