{"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": "CHEMBL1312532", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1312532", "molecule_chembl_id": "CHEMBL1312532", "parent_chembl_id": "CHEMBL1312532"}, "molecule_properties": {"alogp": "3.38", "aromatic_rings": 3, "full_molformula": "C19H20N2O3S", "full_mwt": "356.45", "hba": 4, "hbd": 1, "heavy_atoms": 25, "mw_freebase": "356.45", "np_likeness_score": "-1.93", "num_ro5_violations": 0, "psa": "68.17", "qed_weighted": "0.76", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc21", "molfile": "\n     RDKit          2D\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n    1.1631    2.1406    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5756    1.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7506    2.8551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5920    1.3156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4446    0.7361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3065    2.5531    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4486    1.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3051    2.0637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8571    1.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3624    0.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5600    2.8483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8776    2.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6641    1.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7801   -0.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5920    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3670    3.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9190    2.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0210    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2952   -0.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7354    2.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0210    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4499    1.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4499    2.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7354    0.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1644    0.9031    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  7  1  0\n  1 12  1  0\n  4 15  2  0\n  5  9  1  0\n  5 10  1  0\n  5 14  1  0\n  6 15  1  0\n  6 18  1  0\n  7  8  1  0\n  7 10  2  0\n  8  9  1  0\n  8 11  2  0\n  9 13  2  0\n 11 16  1  0\n 12 15  1  0\n 13 17  1  0\n 14 19  1  0\n 16 17  2  0\n 18 20  2  0\n 18 21  1  0\n 20 23  1  0\n 21 24  2  0\n 22 23  2  0\n 22 24  1  0\n 22 25  1  0\nM  END\n> <chembl_id>\nCHEMBL1312532\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H20N2O3S/c1-3-21-12-18(16-6-4-5-7-17(16)21)25(23,24)13-19(22)20-15-10-8-14(2)9-11-15/h4-12H,3,13H2,1-2H3,(H,20,22)", "standard_inchi_key": "SAOCUWPHSJIXHX-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}