{"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": "CHEMBL1594493", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1594493", "molecule_chembl_id": "CHEMBL1594493", "parent_chembl_id": "CHEMBL1594493"}, "molecule_properties": {"alogp": "2.49", "aromatic_rings": 2, "full_molformula": "C16H13NO3", "full_mwt": "267.28", "hba": 3, "hbd": 0, "heavy_atoms": 20, "mw_freebase": "267.28", "np_likeness_score": "-0.85", "num_ro5_violations": 0, "psa": "46.61", "qed_weighted": "0.80", "ro3_pass": "Y", "rtb": 3}, "molecule_structures": {"canonical_smiles": "COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n    1.9159   -2.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9159    0.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7891    1.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6859   -1.4458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9555   -1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9555   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1709   -2.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1709   -0.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8609   -1.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6700   -2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6700   -0.6208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4484   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3844   -1.8583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3844   -1.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3766   -0.7313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8609   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3766    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7891   -0.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4484    0.6976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6141    1.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  2  0\n  2  8  2  0\n  3 17  1  0\n  3 20  1  0\n  4  7  1  0\n  4  8  1  0\n  4  9  1  0\n  5  6  1  0\n  5  7  1  0\n  5 10  2  0\n  6  8  1  0\n  6 11  2  0\n  9 12  1  0\n 10 13  1  0\n 11 14  1  0\n 12 15  2  0\n 12 16  1  0\n 13 14  2  0\n 15 18  1  0\n 16 19  2  0\n 17 18  2  0\n 17 19  1  0\nM  END\n> <chembl_id>\nCHEMBL1594493\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3", "standard_inchi_key": "KBSAUETWMISGCC-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}