{"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": "CHEMBL1497078", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1497078", "molecule_chembl_id": "CHEMBL1497078", "parent_chembl_id": "CHEMBL1497078"}, "molecule_properties": {"alogp": "2.43", "aromatic_rings": 1, "full_molformula": "C14H19ClN2O3S", "full_mwt": "330.84", "hba": 3, "hbd": 1, "heavy_atoms": 21, "mw_freebase": "330.84", "np_likeness_score": "-2.25", "num_ro5_violations": 0, "psa": "66.48", "qed_weighted": "0.86", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "O=C(CCl)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1", "molfile": "\n     RDKit          2D\n\n 21 22  0  0  0  0  0  0  0  0999 V2000\n    3.2080   -3.0113    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.0646    1.5262    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8896    1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2396    1.5262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7791   -2.1863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0646    2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4935   -0.9488    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0646    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7791    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7791   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3501    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3213    2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8079    2.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0646   -0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3501   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1377    3.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9915    3.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4935   -1.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6521    4.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4771    4.1584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2080   -2.1863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 21  1  0\n  2  3  2  0\n  2  4  2  0\n  2  6  1  0\n  2  8  1  0\n  5 18  2  0\n  6 12  1  0\n  6 13  1  0\n  7 10  1  0\n  7 18  1  0\n  8  9  2  0\n  8 11  1  0\n  9 10  1  0\n 10 14  2  0\n 11 15  2  0\n 12 16  1  0\n 13 17  1  0\n 14 15  1  0\n 16 19  1  0\n 17 20  1  0\n 18 21  1  0\n 19 20  1  0\nM  END\n> <chembl_id>\nCHEMBL1497078\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H19ClN2O3S/c15-11-14(18)16-12-6-5-7-13(10-12)21(19,20)17-8-3-1-2-4-9-17/h5-7,10H,1-4,8-9,11H2,(H,16,18)", "standard_inchi_key": "YWNGXOWLIBYOQM-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}