{"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": "CHEMBL1530075", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1530075", "molecule_chembl_id": "CHEMBL1530075", "parent_chembl_id": "CHEMBL1530075"}, "molecule_properties": {"alogp": "4.34", "aromatic_rings": 3, "full_molformula": "C16H14N2OS", "full_mwt": "282.37", "hba": 4, "hbd": 0, "heavy_atoms": 20, "mw_freebase": "282.37", "np_likeness_score": "-2.22", "num_ro5_violations": 0, "psa": "38.92", "qed_weighted": "0.67", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "Cc1cccc(CSc2ccc(-c3ccco3)nn2)c1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n   -1.7993   -1.1054    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4667   -4.8903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5137   -3.1679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5137   -2.3429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7993   -3.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7993   -4.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7993   -1.9304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0848   -3.1679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0848   -2.3429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1318   -4.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5137    0.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5137   -0.6929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2118   -5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3868   -5.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2282    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2282    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7993    0.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5137    1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7993    1.3696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9427    1.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  1  0\n  1 12  1  0\n  2  6  1  0\n  2 13  1  0\n  3  4  2  0\n  3  5  1  0\n  4  7  1  0\n  5  6  1  0\n  5  8  2  0\n  6 10  2  0\n  7  9  2  0\n  8  9  1  0\n 10 14  1  0\n 11 12  1  0\n 11 15  2  0\n 11 17  1  0\n 13 14  2  0\n 15 16  1  0\n 16 18  2  0\n 16 20  1  0\n 17 19  2  0\n 18 19  1  0\nM  END\n> <chembl_id>\nCHEMBL1530075\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H14N2OS/c1-12-4-2-5-13(10-12)11-20-16-8-7-14(17-18-16)15-6-3-9-19-15/h2-10H,11H2,1H3", "standard_inchi_key": "IJCUPIJICISINC-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}