| PDB CCD ID: | A1EK4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C29 H23 Cl2 F N8 O4 S |
| InChI: | InChI=1S/C29H23Cl2FN8O4S/c1-38-12-16-8-23(20(31)9-22(16)37-38)35-27-36-28(42)40(13-15-3-2-6-34-26(15)41)29(43)39(27)14-17-7-19(30)21(32)10-24(17)44-25-5-4-18(11-33)45-25/h2-10,12H,11,13-14,33H2,1H3,(H,34,41)(H,35,36,42) |
| InChIKey: | ILCULUPLVYBALS-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cn1cc2cc(N=C3NC(=O)N(CC4=CC=CNC4=O)C(=O)N3Cc5cc(Cl)c(F)cc5Oc6sc(CN)cc6)c(Cl)cc2n1 | | OpenEye OEToolkits 2.0.7 | Cn1cc2cc(c(cc2n1)Cl)N=C3NC(=O)N(C(=O)N3Cc4cc(c(cc4Oc5ccc(s5)CN)F)Cl)CC6=CC=CNC6=O | | OpenEye OEToolkits 2.0.7 | Cn1cc2cc(c(cc2n1)Cl)/N=C/3\NC(=O)N(C(=O)N3Cc4cc(c(cc4Oc5ccc(s5)CN)F)Cl)CC6=CC=CNC6=O |
|
| Name: | 1-[[2-[5-(aminomethyl)thiophen-2-yl]oxy-5-chloranyl-4-fluoranyl-phenyl]methylidene]-6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(2-oxidanylidene-1~{H}-pyridin-3-yl)methyl]-1$l^{4},3,5-triazinane-2,4-dione |
