{"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": "CHEMBL4294669", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4294669", "molecule_chembl_id": "CHEMBL4294669", "parent_chembl_id": "CHEMBL4294669"}, "molecule_properties": {"alogp": "4.37", "aromatic_rings": 2, "full_molformula": "C17H17Cl2NO5S", "full_mwt": "418.30", "hba": 5, "hbd": 1, "heavy_atoms": 26, "mw_freebase": "418.30", "np_likeness_score": "-1.43", "num_ro5_violations": 0, "psa": "81.70", "qed_weighted": "0.68", "ro3_pass": "N", "rtb": 7}, "molecule_structures": {"canonical_smiles": "CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2OCC)cc1", "molfile": "\n     RDKit          2D\n\n 26 27  0  0  0  0  0  0  0  0999 V2000\n   15.6823   -2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0990   -3.1414    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5112   -2.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9602   -3.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9590   -4.3896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6738   -4.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3902   -4.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3874   -3.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6719   -3.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2442   -4.8014    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   14.6736   -5.6273    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   16.1052   -4.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   16.1065   -5.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8217   -6.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.8162   -3.5532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5290   -3.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2434   -3.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9558   -3.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.9531   -2.3109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.2321   -1.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.5227   -2.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6648   -1.8923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.3813   -2.3011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.6605   -1.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   21.0936   -1.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.8102   -2.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  2  2  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  7  8  1  0\n  8  9  2  0\n  9  4  1  0\n  5 10  1  0\n  6 11  1  0\n  7 12  1  0\n 12 13  1  0\n 13 14  1  0\n  8  2  1  0\n  2 15  1  0\n 15 16  1  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19 20  1  0\n 20 21  2  0\n 21 16  1  0\n 22 23  1  0\n 22 24  2  0\n 19 22  1  0\n 23 25  1  0\n 25 26  1  0\nM  END\n> <chembl_id>\nCHEMBL4294669\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H17Cl2NO5S/c1-3-24-16-14(10-9-13(18)15(16)19)26(22,23)20-12-7-5-11(6-8-12)17(21)25-4-2/h5-10,20H,3-4H2,1-2H3", "standard_inchi_key": "MSMFYOOHXUARFX-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}