{"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": "CHEMBL3623007", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3623007", "molecule_chembl_id": "CHEMBL3623007", "parent_chembl_id": "CHEMBL3623007"}, "molecule_properties": {"alogp": "1.99", "aromatic_rings": 2, "full_molformula": "C16H16N2O2S", "full_mwt": "300.38", "hba": 3, "hbd": 1, "heavy_atoms": 21, "mw_freebase": "300.38", "np_likeness_score": "-1.79", "num_ro5_violations": 0, "psa": "49.41", "qed_weighted": "0.94", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CNC(=O)C1Cc2ccccc2N1C(=O)Cc1cccs1", "molfile": "\n     RDKit          2D\n\n 21 23  0  0  0  0  0  0  0  0999 V2000\n   -2.3155    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.3155   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0028   -1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0028    1.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2917    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2917   -0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7138   -1.2033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5889    0.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7138    1.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0872    0.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7008   -0.9930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8208    1.3475    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1855   -2.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3877   -3.5218    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6552   -2.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0207    1.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1277   -4.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5493   -4.7909    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5553   -6.2909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1306   -6.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2441   -5.5502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  6  2  0\n  5  4  2  0\n  4  1  1  0\n  5  6  1  0\n  6  7  1  0\n  7  8  1  0\n  8  9  1  0\n  9  5  1  0\n  8 10  1  0\n 10 11  2  0\n 10 12  1  0\n  7 13  1  0\n 13 14  2  0\n 13 15  1  0\n 12 16  1  0\n 15 17  1  0\n 17 18  1  0\n 18 19  1  0\n 19 20  2  0\n 20 21  1  0\n 21 17  2  0\nM  END\n> <chembl_id>\nCHEMBL3623007\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H16N2O2S/c1-17-16(20)14-9-11-5-2-3-7-13(11)18(14)15(19)10-12-6-4-8-21-12/h2-8,14H,9-10H2,1H3,(H,17,20)", "standard_inchi_key": "VKRBSHGKPCQWLP-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}