{"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": "CHEMBL1893834", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1893834", "molecule_chembl_id": "CHEMBL1893834", "parent_chembl_id": "CHEMBL1893834"}, "molecule_properties": {"alogp": "2.27", "aromatic_rings": 3, "full_molformula": "C16H13N3O2S", "full_mwt": "311.37", "hba": 5, "hbd": 0, "heavy_atoms": 22, "mw_freebase": "311.37", "np_likeness_score": "-2.06", "num_ro5_violations": 0, "psa": "54.68", "qed_weighted": "0.69", "ro3_pass": "N", "rtb": 1}, "molecule_structures": {"canonical_smiles": "Cc1csc2ncc(C(=O)N3CCc4ccccc43)c(=O)n12", "molfile": "\n     RDKit          2D\n\n 22 25  0  0  0  0  0  0  0  0999 V2000\n   -4.4366   -1.5845    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2947    0.1562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6386   -1.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3566   -0.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9357   -0.2853    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.0595   -2.1976    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9976   -1.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5497   -0.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6116   -1.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1907   -1.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0241   -0.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1511   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2526   -2.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1511    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.6915   -0.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4206    0.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9357    1.0495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5634   -0.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5634    1.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0241    0.5100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2778   -0.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2778    0.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  1  0\n  1 15  1  0\n  2  8  2  0\n  3 10  2  0\n  4  8  1  0\n  4  9  1  0\n  4 11  1  0\n  5 10  1  0\n  5 12  1  0\n  5 16  1  0\n  6  9  2  0\n  6 13  1  0\n  7  8  1  0\n  7 10  1  0\n  7 13  2  0\n 11 15  2  0\n 11 20  1  0\n 12 14  1  0\n 12 18  2  0\n 14 17  1  0\n 14 19  2  0\n 16 17  1  0\n 18 21  1  0\n 19 22  1  0\n 21 22  2  0\nM  END\n> <chembl_id>\nCHEMBL1893834\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H13N3O2S/c1-10-9-22-16-17-8-12(15(21)19(10)16)14(20)18-7-6-11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3", "standard_inchi_key": "PVRCUZLDHWMKOT-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}