{"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": "CHEMBL4874369", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4874369", "molecule_chembl_id": "CHEMBL4874369", "parent_chembl_id": "CHEMBL4874369"}, "molecule_properties": {"alogp": "4.48", "aromatic_rings": 3, "full_molformula": "C15H13ClN2O3S3", "full_mwt": "400.93", "hba": 6, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "400.93", "np_likeness_score": "-2.55", "num_ro5_violations": 0, "psa": "68.29", "qed_weighted": "0.64", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1", "molfile": " \n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n   10.3181  -18.6179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7308  -19.3278    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1392  -18.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3220  -20.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7386  -21.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7357  -20.9627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0271  -20.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.0247  -19.7402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4401  -19.7360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4404  -20.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1484  -20.9570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8559  -20.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8508  -19.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1422  -19.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1358  -18.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4249  -18.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.1505  -21.7741    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   10.0289  -22.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3211  -21.7889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7163  -22.3365    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0503  -23.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8615  -22.9933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6438  -23.7899    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8266  -23.7923    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 19  2  0\n 18  5  2  0\n  5  6  1  0\n  6  7  2  0\n  7  4  1  0\n  7  8  1  0\n  8  2  1  0\n  2  9  1  0\n  9 10  2  0\n 10 11  1  0\n 11 12  2  0\n 12 13  1  0\n 13 14  2  0\n 14  9  1  0\n 15 16  1  0\n 14 15  1  0\n 11 17  1  0\n 18 19  1  0\n 19 20  1  0\n 20 21  1  0\n 21 22  2  0\n 22 18  1  0\n 21 23  1  0\n 23 24  1  0\nM  END\n> <chembl_id>\nCHEMBL4874369\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H13ClN2O3S3/c1-21-12-6-3-9(16)7-14(12)24(19,20)18-10-4-5-11-13(8-10)23-15(17-11)22-2/h3-8,18H,1-2H3", "standard_inchi_key": "LEECFTLKYBWOCK-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Unknown", "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}