{"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": "CHEMBL4208749", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4208749", "molecule_chembl_id": "CHEMBL4208749", "parent_chembl_id": "CHEMBL4208749"}, "molecule_properties": {"alogp": "3.31", "aromatic_rings": 3, "full_molformula": "C18H14N2O2", "full_mwt": "290.32", "hba": 3, "hbd": 2, "heavy_atoms": 22, "mw_freebase": "290.32", "np_likeness_score": "-1.00", "num_ro5_violations": 0, "psa": "61.69", "qed_weighted": "0.57", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(O)cc1", "molfile": "\n     RDKit          2D\n\n 22 24  0  0  0  0  0  0  0  0999 V2000\n    4.3363  -20.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3352  -21.5753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0432  -21.9843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7529  -21.5749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7500  -20.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0414  -20.3469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6271  -21.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4562  -20.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1654  -20.7469    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4531  -19.5238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8716  -20.3356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5808  -20.7415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2870  -20.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9923  -20.7379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6979  -20.3274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2783  -19.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9811  -19.1036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6938  -19.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3987  -19.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3922  -18.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6748  -17.8714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9728  -18.2884    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  4  2  0\n  4  5  1  0\n  5  6  2  0\n  6  1  1  0\n  2  7  1  0\n  5  8  1  0\n  8  9  1  0\n  8 10  2  0\n  9 11  1  0\n 11 12  2  0\n 12 13  1  0\n 13 14  2  0\n 14 15  1  0\n 15 18  2  0\n 17 16  2  0\n 16 13  1  0\n 17 18  1  0\n 18 19  1  0\n 19 20  2  0\n 20 21  1  0\n 21 22  2  0\n 22 17  1  0\nM  END\n> <chembl_id>\nCHEMBL4208749\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H14N2O2/c21-17-9-7-15(8-10-17)18(22)20-19-12-13-5-6-14-3-1-2-4-16(14)11-13/h1-12,21H,(H,20,22)/b19-12+", "standard_inchi_key": "RNZIMBFHRXYRLL-XDHOZWIPSA-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}