| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O)Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)c3)O)C(c5c6)=O |
| InChI | InChI | 1.03 | InChI=1S/C33H25FN6O5S/c1-17(41)36-26-15-19(12-13-35-26)29-28(38-33(39-29)46-2)18-6-5-7-20(14-18)37-30(43)27-23(25(42)11-10-24(27)34)16-40-31(44)21-8-3-4-9-22(21)32(40)45/h3-15,42H,16H2,1-2H3,(H,37,43)(H,38,39)(H,35,36,41) |
| InChIKey | InChI | 1.03 | HPMLKUVOVSVMID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc6C5=O)c3 |
| SMILES | CACTVS | 3.385 | CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc6C5=O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)O)F |
