{"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": "CHEMBL1871594", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1871594", "molecule_chembl_id": "CHEMBL1871594", "parent_chembl_id": "CHEMBL1871594"}, "molecule_properties": {"alogp": "3.68", "aromatic_rings": 2, "full_molformula": "C19H20ClNO4S", "full_mwt": "393.89", "hba": 3, "hbd": 1, "heavy_atoms": 26, "mw_freebase": "393.89", "np_likeness_score": "-1.33", "num_ro5_violations": 0, "psa": "74.68", "qed_weighted": "0.84", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1", "molfile": "\n     RDKit          2D\n\n 26 28  0  0  0  0  0  0  0  0999 V2000\n   -3.0558    1.9606    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269    1.1356    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4519    1.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8019    1.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1979    4.4356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5165    3.1981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269    0.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269    1.9606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414    2.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9124    2.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9124    3.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9124   -0.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414   -0.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414    3.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269    3.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269   -1.3394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9124   -0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414   -0.9269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1979    3.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6269   -2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414   -2.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3414   -3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0558   -2.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0558   -3.8144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7703   -2.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.7703   -3.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  1  0\n  2  3  2  0\n  2  4  2  0\n  2  7  1  0\n  2  8  1  0\n  5 19  2  0\n  6 19  1  0\n  7 12  1  0\n  7 13  1  0\n  8  9  1  0\n  8 10  2  0\n  9 14  2  0\n 10 11  1  0\n 11 15  2  0\n 11 19  1  0\n 12 17  1  0\n 13 18  1  0\n 14 15  1  0\n 16 17  1  0\n 16 18  1  0\n 16 20  1  0\n 20 21  1  0\n 21 22  2  0\n 21 23  1  0\n 22 24  1  0\n 23 25  2  0\n 24 26  2  0\n 25 26  1  0\nM  END\n> <chembl_id>\nCHEMBL1871594\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H20ClNO4S/c20-17-7-6-16(19(22)23)13-18(17)26(24,25)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,22,23)", "standard_inchi_key": "CPMOTDIYUBEEAI-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}