B4E
Summary
| Name: | cyclical inhibitor OD36 |
| Formula: | C16 H15 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 330.769 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 | 1.03 | InChI=1S/C16H15ClN4O2/c17-12-7-11-8-13(9-12)23-6-5-22-4-2-18-15-1-3-21-16(20-15)14(11)10-19-21/h1,3,7-10H,2,4-6H2,(H,18,20) |
| InChIKey | InChI | 1.03 | KTSDBMVHAKWDRK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1cc2OCCOCCNc3ccn4ncc(c(c1)c2)c4n3 |
| SMILES | CACTVS | 3.385 | Clc1cc2OCCOCCNc3ccn4ncc(c(c1)c2)c4n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cn2c3c(cn2)-c4cc(cc(c4)Cl)OCCOCCNc1n3 |
