| PDB CCD ID: | 4DO |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C19 H16 F N7 O2 S |
| InChI: | InChI=1S/C19H16FN7O2S/c1-27(16-4-2-3-15-13(16)9-22-26-15)18-14(20)10-21-19(25-18)24-12-6-5-11-8-23-30(28,29)17(11)7-12/h2-7,9-10,23H,8H2,1H3,(H,22,26)(H,21,24,25) |
| InChIKey: | AKKNJEBKJABIRC-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | CN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3F | | ACDLabs 12.01 | O=S1(=O)NCc2c1cc(cc2)Nc3ncc(F)c(n3)N(C)c4cccc5c4cnn5 | | OpenEye OEToolkits 1.9.2 | CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F |
|
| Name: | N~2~-(1,1-dioxido-2,3-dihydro-1,2-benzothiazol-6-yl)-5-fluoro-N~4~-(1H-indazol-4-yl)-N~4~-methylpyrimidine-2,4-diamine |
| ZINC: | ZINC000034838115 |
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