{"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": "CHEMBL1885497", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1885497", "molecule_chembl_id": "CHEMBL1885497", "parent_chembl_id": "CHEMBL1885497"}, "molecule_properties": {"alogp": "1.94", "aromatic_rings": 2, "full_molformula": "C15H12N2O3", "full_mwt": "268.27", "hba": 3, "hbd": 1, "heavy_atoms": 20, "mw_freebase": "268.27", "np_likeness_score": "-0.70", "num_ro5_violations": 0, "psa": "70.50", "qed_weighted": "0.92", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "O=C(O)c1cccc2c1C(=O)N(Cc1ccncc1)C2", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n    0.8257   -0.7358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2942   -1.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8652   -1.3462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5957    0.7163    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4668   -1.4272    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8652    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8652    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0806    0.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5797   -0.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0806    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5797    1.5413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2942    0.3038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2293    0.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5797   -0.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2942    1.1288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6418    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4668    0.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2293   -0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8793   -0.7127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6418   -1.4272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  2  0\n  2 14  2  0\n  3 14  1  0\n  4  8  1  0\n  4 10  1  0\n  4 13  1  0\n  5 19  2  0\n  5 20  1  0\n  6  7  2  0\n  6  8  1  0\n  6  9  1  0\n  7 10  1  0\n  7 11  1  0\n  9 12  2  0\n  9 14  1  0\n 11 15  2  0\n 12 15  1  0\n 13 16  1  0\n 16 17  2  0\n 16 18  1  0\n 17 19  1  0\n 18 20  2  0\nM  END\n> <chembl_id>\nCHEMBL1885497\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H12N2O3/c18-14-13-11(2-1-3-12(13)15(19)20)9-17(14)8-10-4-6-16-7-5-10/h1-7H,8-9H2,(H,19,20)", "standard_inchi_key": "SFOCWDRPXPSPLJ-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}