{"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": "CHEMBL1584484", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1584484", "molecule_chembl_id": "CHEMBL1584484", "parent_chembl_id": "CHEMBL1584484"}, "molecule_properties": {"alogp": "4.04", "aromatic_rings": 3, "full_molformula": "C16H11F2N3OS", "full_mwt": "331.35", "hba": 4, "hbd": 1, "heavy_atoms": 23, "mw_freebase": "331.35", "np_likeness_score": "-2.73", "num_ro5_violations": 0, "psa": "54.88", "qed_weighted": "0.79", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(F)cc1F", "molfile": "\n     RDKit          2D\n\n 23 25  0  0  0  0  0  0  0  0999 V2000\n    2.2074   -0.1964    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7428   -2.2297    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0416   -5.0719    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2579   -1.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8726   -0.1964    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1019   -2.4022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2545    1.5260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9525   -0.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5400    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1275   -0.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4374   -1.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5400    1.1135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5868   -3.0696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4073   -2.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8255    1.5260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2512   -3.8233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6426   -1.6485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8922   -3.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5566   -4.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7362   -4.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2545    2.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8255    2.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5400    2.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0\n  1  9  1  0\n  2 14  1  0\n  3 19  1  0\n  4 11  2  0\n  5  9  2  0\n  5 10  1  0\n  6 11  1  0\n  6 13  1  0\n  7 12  1  0\n  7 21  2  0\n  8 10  2  0\n  8 11  1  0\n  9 12  1  0\n 10 17  1  0\n 12 15  2  0\n 13 14  1  0\n 13 16  2  0\n 14 18  2  0\n 15 22  1  0\n 16 20  1  0\n 18 19  1  0\n 19 20  2  0\n 21 23  1  0\n 22 23  2  0\nM  END\n> <chembl_id>\nCHEMBL1584484\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H11F2N3OS/c1-9-14(23-16(20-9)13-4-2-3-7-19-13)15(22)21-12-6-5-10(17)8-11(12)18/h2-8H,1H3,(H,21,22)", "standard_inchi_key": "XOSVREHMXJQDKN-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}