{"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": "CHEMBL1580361", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1580361", "molecule_chembl_id": "CHEMBL1580361", "parent_chembl_id": "CHEMBL1580361"}, "molecule_properties": {"alogp": "1.99", "aromatic_rings": 2, "full_molformula": "C18H16N2O3", "full_mwt": "308.34", "hba": 3, "hbd": 1, "heavy_atoms": 23, "mw_freebase": "308.34", "np_likeness_score": "-1.21", "num_ro5_violations": 0, "psa": "66.48", "qed_weighted": "0.86", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "O=C(CCN1C(=O)c2ccccc2C1=O)NCc1ccccc1", "molfile": "\n     RDKit          2D\n\n 23 25  0  0  0  0  0  0  0  0999 V2000\n    0.1743    0.5147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6264   -2.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2429    0.6097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0995   -0.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9574   -0.6278    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2062   -0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2063   -1.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3458   -0.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0133   -1.4483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0312   -0.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2062   -2.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8140   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4437   -1.6198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0312   -2.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5285   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2429   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3864   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6719   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1008   -0.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3864   -1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8153   -0.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1008   -1.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8153   -1.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  2  0\n  2  9  2  0\n  3 16  2  0\n  4  8  1  0\n  4  9  1  0\n  4 12  1  0\n  5 16  1  0\n  5 18  1  0\n  6  7  1  0\n  6  8  1  0\n  6 10  2  0\n  7  9  1  0\n  7 11  2  0\n 10 13  1  0\n 11 14  1  0\n 12 15  1  0\n 13 14  2  0\n 15 16  1  0\n 17 18  1  0\n 17 19  2  0\n 17 20  1  0\n 19 21  1  0\n 20 22  2  0\n 21 23  2  0\n 22 23  1  0\nM  END\n> <chembl_id>\nCHEMBL1580361\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H16N2O3/c21-16(19-12-13-6-2-1-3-7-13)10-11-20-17(22)14-8-4-5-9-15(14)18(20)23/h1-9H,10-12H2,(H,19,21)", "standard_inchi_key": "OZKVAPKROGCLLD-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}