{"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": "CHEMBL1434885", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1434885", "molecule_chembl_id": "CHEMBL1434885", "parent_chembl_id": "CHEMBL1434885"}, "molecule_properties": {"alogp": "3.39", "aromatic_rings": 2, "full_molformula": "C18H20N2O3S", "full_mwt": "344.44", "hba": 4, "hbd": 2, "heavy_atoms": 24, "mw_freebase": "344.44", "np_likeness_score": "-1.53", "num_ro5_violations": 0, "psa": "67.43", "qed_weighted": "0.89", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "CC(=O)Nc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1", "molfile": "\n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n    4.6514   -3.4867    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9761   -1.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3794   -0.9128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3684   -3.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2242   -3.0953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9743   -3.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3188   -2.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3188   -3.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5064   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1313   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0367   -1.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9863   -3.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4117   -3.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6616   -1.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5670   -0.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9063   -4.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7313   -4.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1296   -4.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8814   -2.6066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7868   -3.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3171   -4.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0690   -2.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4440   -3.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7262   -2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0\n  1 16  1  0\n  2  9  2  0\n  3 14  1  0\n  3 15  1  0\n  4 23  2  0\n  5  9  1  0\n  5 13  1  0\n  6 20  1  0\n  6 23  1  0\n  7  8  1  0\n  7  9  1  0\n  7 10  1  0\n  7 11  1  0\n  8 12  2  0\n 10 14  1  0\n 11 15  1  0\n 12 17  1  0\n 13 18  2  0\n 13 19  1  0\n 16 17  2  0\n 18 21  1  0\n 19 22  2  0\n 20 21  2  0\n 20 22  1  0\n 23 24  1  0\nM  END\n> <chembl_id>\nCHEMBL1434885\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H20N2O3S/c1-13(21)19-14-4-6-15(7-5-14)20-17(22)18(8-10-23-11-9-18)16-3-2-12-24-16/h2-7,12H,8-11H2,1H3,(H,19,21)(H,20,22)", "standard_inchi_key": "JXPLGPXIKBXFPF-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}