| PDB CCD ID: | A1EGN |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C27 H21 Cl F3 N7 O4 |
| InChI: | InChI=1S/C27H21ClF3N7O4/c1-36-11-15-5-24(19(28)7-23(15)35-36)33-25-34-26(39)38(16-6-18(10-32-9-16)42-17-2-3-41-13-17)27(40)37(25)12-14-4-21(30)22(31)8-20(14)29/h4-11,17H,2-3,12-13H2,1H3,(H,33,34,39)/t17-/m0/s1 |
| InChIKey: | ZWNJCKKTOIHMCA-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1cc2cc(N=C3NC(=O)N(C(=O)N3Cc4cc(F)c(F)cc4F)c5cncc(O[CH]6CCOC6)c5)c(Cl)cc2n1 | | CACTVS 3.385 | Cn1cc2cc(N=C3NC(=O)N(C(=O)N3Cc4cc(F)c(F)cc4F)c5cncc(O[C@H]6CCOC6)c5)c(Cl)cc2n1 | | OpenEye OEToolkits 2.0.7 | Cn1cc2cc(c(cc2n1)Cl)N=C3NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)c5cc(cnc5)OC6CCOC6 | | OpenEye OEToolkits 2.0.7 | Cn1cc2cc(c(cc2n1)Cl)/N=C/3\NC(=O)N(C(=O)N3Cc4cc(c(cc4F)F)F)c5cc(cnc5)O[C@H]6CCOC6 |
|
| Name: | (6~{E})-6-(6-chloranyl-2-methyl-indazol-5-yl)imino-3-[5-[(3~{S})-oxolan-3-yl]oxypyridin-3-yl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazinane-2,4-dione |
