KX0
Summary
| Name: | Tinengotinib |
| Synonyms: | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine |
| Formula: | C20 H19 Cl N6 O |
| Formal charge: | 0 |
| Formula weight: | 394.857 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[9-(2-chlorophenyl)-6-methyl-2,4,5,8,12-pentazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3,6,8,11,13-hexaen-13-yl]morpholine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H19ClN6O/c1-12-18-20(26-25-12)23-16-10-17(27-6-8-28-9-7-27)22-11-14(16)19(24-18)13-4-2-3-5-15(13)21/h2-5,10-11H,6-9H2,1H3,(H2,23,25,26) |
| InChIKey | InChI | 1.06 | DQFCVOOFMXEPOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5 |
| SMILES | CACTVS | 3.385 | Cc1[nH]nc2Nc3cc(ncc3C(=Nc12)c4ccccc4Cl)N5CCOCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c2c(n[nH]1)Nc3cc(ncc3C(=N2)c4ccccc4Cl)N5CCOCC5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c2c(n[nH]1)Nc3cc(ncc3C(=N2)c4ccccc4Cl)N5CCOCC5 |
