| PDB CCD ID: | 66F |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C17 H17 F2 N5 O3 S |
| InChI: | InChI=1S/C17H17F2N5O3S/c1-17(9-28(26,27)24(2)16(20)23-17)12-7-11(4-5-13(12)19)22-15(25)14-6-3-10(18)8-21-14/h3-8H,9H2,1-2H3,(H2,20,23)(H,22,25)/t17-/m0/s1 |
| InChIKey: | YHYKUSGACIYRML-KRWDZBQOSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | c2(cc(NC(c1ncc(cc1)F)=O)ccc2F)C3(CS(=O)(N(C)C(N)=N3)=O)C | | OpenEye OEToolkits 2.0.4 | C[C@]1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F | | CACTVS 3.385 | CN1C(=N[C](C)(C[S]1(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N | | CACTVS 3.385 | CN1C(=N[C@@](C)(C[S]1(=O)=O)c2cc(NC(=O)c3ccc(F)cn3)ccc2F)N | | OpenEye OEToolkits 2.0.4 | CC1(CS(=O)(=O)N(C(=N1)N)C)c2cc(ccc2F)NC(=O)c3ccc(cn3)F |
|
| Name: | N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxido-5,6-dihydro-2H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide |
| ChEMBL: | CHEMBL3301601 |
| DrugBank: | DB12285 |
| ZINC: | ZINC000144542146 |
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