IYC
Summary
| Name: | Elzovantinib |
| Synonyms: | (11S)-16-amino-2-ethyl-6-fluoro-11-methyl-14-oxo-10-oxa-2,13,17,18,21-pentazatetracyclo[13.5.2.04,9.018,22]docosa-1(21),4(9),5,7,15(22),16,19-heptaene-5-carbonitrile TPX-0022 |
| Formula: | C20 H20 F N7 O2 |
| Formal charge: | 0 |
| Formula weight: | 409.417 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/C20H20FN7O2/c1-3-27-10-13-12(8-22)14(21)4-5-15(13)30-11(2)9-24-20(29)17-18(23)26-28-7-6-16(27)25-19(17)28/h4-7,11H,3,9-10H2,1-2H3,(H2,23,26)(H,24,29)/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | UUDPUQDMSHQSKH-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1Cc2c(O[C@@H](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N |
| SMILES | CACTVS | 3.385 | CCN1Cc2c(O[CH](C)CNC(=O)c3c(N)nn4ccc1nc34)ccc(F)c2C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCN1Cc2c(ccc(c2C#N)F)O[C@H](CNC(=O)c3c(nn4c3nc1cc4)N)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCN1Cc2c(ccc(c2C#N)F)OC(CNC(=O)c3c(nn4c3nc1cc4)N)C |
