{"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": "CHEMBL5020295", "molecule_hierarchy": {"active_chembl_id": "CHEMBL5020295", "molecule_chembl_id": "CHEMBL5020295", "parent_chembl_id": "CHEMBL5020295"}, "molecule_properties": {"alogp": "2.79", "aromatic_rings": 2, "full_molformula": "C19H20N2O3", "full_mwt": "324.38", "hba": 3, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "324.38", "np_likeness_score": "-1.47", "num_ro5_violations": 0, "psa": "58.64", "qed_weighted": "0.92", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "CCN1C(=O)Cc2cc(NC(=O)Cc3ccc(OC)cc3)ccc21", "molfile": "Compound 74645\n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7536    1.3069   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1531    2.6845   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2489    1.4718   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2716    3.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2952    3.0024   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5668    2.9436   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2834    5.2042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7426    4.4389   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8737    3.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5903    5.9578   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.8855    5.2042   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.1925    5.9578   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4994    5.2278   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.5112    3.7442   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.8064    5.9813   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.1133    5.2513   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.4203    6.0049   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -9.1251    3.7678   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -11.7272    5.2749   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -10.4320    3.0378   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -11.7390    3.7913   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  -13.0459    3.0613   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  -13.0577    1.5778   -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  2  4  1  0\n  3  5  1  0\n  3  6  1  0\n  4  7  1  0\n  5  8  1  0\n  6  9  1  0\n  7 10  1  0\n  8 11  2  0\n 10 12  2  0\n 12 13  1  0\n 13 14  1  0\n 14 15  2  0\n 14 16  1  0\n 16 17  1  0\n 17 18  2  0\n 17 19  1  0\n 18 20  1  0\n 19 21  2  0\n 20 22  2  0\n 22 23  1  0\n 23 24  1  0\n  5  7  2  0\n 11 12  1  0\n 21 22  1  0\nM  END\n> <chembl_id>\nCHEMBL5020295\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H20N2O3/c1-3-21-17-9-6-15(11-14(17)12-19(21)23)20-18(22)10-13-4-7-16(24-2)8-5-13/h4-9,11H,3,10,12H2,1-2H3,(H,20,22)", "standard_inchi_key": "GZBJWIUNSGFRSK-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}