| PDB CCD ID: | AXI |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C22 H18 N4 O S |
| InChI: | InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+ |
| InChIKey: | RITAVMQDGBJQJZ-FMIVXFBMSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2 | | CACTVS 3.385 | CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3\C=C\c4ccccn4)c2 | | OpenEye OEToolkits 2.0.7 | CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4 | | ACDLabs 12.01 | O=C(NC)c4ccccc4Sc2ccc3c(\C=C\c1ncccc1)nnc3c2 | | OpenEye OEToolkits 2.0.7 | CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3C=Cc4ccccn4 |
|
| Name: | AXITINIB;
N-METHYL-2-(3-((E)-2-PYRIDIN-2-YL-VINYL)-1H-INDAZOL-6-YLSULFANYL)-BENZAMIDE |
| ChEMBL: | CHEMBL1289926 |
| DrugBank: | DB06626 |
| ZINC: | ZINC000003816287 |
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