{"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": "CHEMBL2093643", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2093643", "molecule_chembl_id": "CHEMBL2093643", "parent_chembl_id": "CHEMBL2093643"}, "molecule_properties": {"alogp": "3.36", "aromatic_rings": 2, "full_molformula": "C14H15Cl2N3O3S2", "full_mwt": "408.33", "hba": 5, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "408.33", "np_likeness_score": "-2.54", "num_ro5_violations": 0, "psa": "79.37", "qed_weighted": "0.84", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CS(=O)(=O)N1CCCCC1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1", "molfile": "\n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n    5.6170    7.3994    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2328    5.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2412    7.7566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1349    6.3819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3231    6.2195    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8510    7.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5401    5.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8401    5.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9725    5.0397    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5571    7.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5354    5.6495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9742    6.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2706    8.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3761    7.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1437    5.0758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3652    5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7910    6.3494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1637    7.7674    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    5.0000    7.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2412    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7874    7.7819    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    7.4680    7.7566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8510    8.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4680    8.4710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  7  1  0\n  3  1  1  0\n  4  5  1  0\n  5  2  2  0\n  6  3  1  0\n  7  8  1  0\n  8  6  1  0\n  9  2  1  0\n 10  4  1  0\n 11  9  1  0\n 12  1  2  0\n 13  1  2  0\n 14 10  2  0\n 15  8  2  0\n 16 11  1  0\n 17 16  2  0\n 18 10  1  0\n 19  1  1  0\n 20  3  1  0\n 21 14  1  0\n 22  6  1  0\n 23 20  1  0\n 24 23  1  0\n 24 22  1  0\n  4 11  2  0\n 14 17  1  0\nM  END\n> <chembl_id>\nCHEMBL2093643\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H15Cl2N3O3S2/c1-24(21,22)19-7-3-2-4-9(19)13(20)18-14-17-12-10(23-14)6-5-8(15)11(12)16/h5-6,9H,2-4,7H2,1H3,(H,17,18,20)", "standard_inchi_key": "LZXMLWOZGJTEMM-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}