{"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": "CHEMBL1620624", "molecule_hierarchy": null, "molecule_properties": {"alogp": "1.12", "aromatic_rings": 1, "full_molformula": "C15H22N2O2S", "full_mwt": "294.42", "hba": 3, "hbd": 0, "heavy_atoms": 20, "mw_freebase": "294.42", "np_likeness_score": "-1.39", "num_ro5_violations": 0, "psa": "40.62", "qed_weighted": "0.84", "ro3_pass": "Y", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CCS(=O)(=O)N1CCN(C2Cc3ccccc3C2)CC1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n   -2.5206    0.0357    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5206    0.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5206   -0.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0456    0.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6956    0.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7794    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490   -0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0490    0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2644   -0.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2644    0.7032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4581   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4581    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2831   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2831    0.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7634   -0.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7634    0.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3456    0.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4779   -0.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4779    0.4482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7581   -0.6787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  1  3  2  0\n  1  5  1  0\n  1 17  1  0\n  4  6  1  0\n  4 11  1  0\n  4 12  1  0\n  5 13  1  0\n  5 14  1  0\n  6  9  1  0\n  6 10  1  0\n  7  8  1  0\n  7  9  1  0\n  7 15  2  0\n  8 10  1  0\n  8 16  2  0\n 11 13  1  0\n 12 14  1  0\n 15 18  1  0\n 16 19  1  0\n 17 20  1  0\n 18 19  2  0\nM  END\n> <chembl_id>\nCHEMBL1620624\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H22N2O2S/c1-2-20(18,19)17-9-7-16(8-10-17)15-11-13-5-3-4-6-14(13)12-15/h3-6,15H,2,7-12H2,1H3", "standard_inchi_key": "FRCOEEKFBJINHB-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}