{"atc_classifications": [], "availability_type": -1, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": -1, "cross_references": [], "dosed_ingredient": false, "first_approval": null, "first_in_class": -1, "helm_notation": null, "inorganic_flag": -1, "max_phase": null, "molecule_chembl_id": "CHEMBL3439718", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3439718", "molecule_chembl_id": "CHEMBL3439718", "parent_chembl_id": "CHEMBL3439718"}, "molecule_properties": {"alogp": "0.84", "aromatic_rings": 1, "full_molformula": "C15H20FN3O3S", "full_mwt": "341.41", "hba": 3, "hbd": 2, "heavy_atoms": 23, "mw_freebase": "341.41", "np_likeness_score": "-1.37", "num_ro5_violations": 0, "psa": "78.51", "qed_weighted": "0.77", "ro3_pass": "N", "rtb": 7}, "molecule_structures": {"canonical_smiles": "O=C1NCCN1C(CNS(=O)(=O)C1CC1)Cc1cccc(F)c1", "molfile": "\n     RDKit          2D\n\n 23 25  0  0  0  0  0  0  0  0999 V2000\n    2.3383   -1.3500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5972   -1.5031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5951   -3.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8933   -3.7570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8912   -5.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1894   -6.0109    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2296   -5.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1917   -4.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1872   -7.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.9355   -8.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.4355   -8.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2941   -3.7520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0554   -3.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0625   -4.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3165   -5.5398    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1516   -5.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0457   -6.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  2  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  1  0\n  7  8  1  0\n  8  9  1  0\n  9 10  1  0\n 10 11  1  0\n 11 12  2  0\n 11 13  2  0\n 11 14  1  0\n 14 15  1  0\n 15 16  1  0\n 16 14  1  0\n  8 17  1  0\n 17 18  1  0\n 18 19  1  0\n 19 20  1  0\n 20 21  1  0\n 21 17  1  0\n 21 22  2  0\n  6 23  2  0\n 23  2  1  0\nM  END\n> <chembl_id>\nCHEMBL3439718\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H20FN3O3S/c16-12-3-1-2-11(8-12)9-13(19-7-6-17-15(19)20)10-18-23(21,22)14-4-5-14/h1-3,8,13-14,18H,4-7,9-10H2,(H,17,20)", "standard_inchi_key": "MJERNXATSXPCPH-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 0, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "structure_type": "MOL", "therapeutic_flag": false, "topical": false, "usan_stem": null, "usan_stem_definition": null, "usan_substem": null, "usan_year": null, "veterinary": -1, "withdrawn_flag": false}