{"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": "CHEMBL151378", "molecule_hierarchy": {"active_chembl_id": "CHEMBL151378", "molecule_chembl_id": "CHEMBL151378", "parent_chembl_id": "CHEMBL151378"}, "molecule_properties": {"alogp": "4.60", "aromatic_rings": 3, "full_molformula": "C20H20N2O2", "full_mwt": "320.39", "hba": 2, "hbd": 2, "heavy_atoms": 24, "mw_freebase": "320.39", "np_likeness_score": "-1.16", "num_ro5_violations": 0, "psa": "52.57", "qed_weighted": "0.74", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "CCN(Cc1ccccc1)C(=O)Nc1cccc2ccc(O)cc12", "molfile": "\n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n    1.1542   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4375   -1.0292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2750   -1.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8667   -1.0375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9875   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1500   -2.2750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5792   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9875   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7000   -1.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4083   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7000    0.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2917   -1.0375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4083   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7000    1.0250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2833   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8625   -0.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9958   -2.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7000   -2.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0042   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2917   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5667    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7167   -1.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0042    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7167   -0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  2  1  0\n  4  1  1  0\n  5  3  1  0\n  6  1  2  0\n  7  4  1  0\n  8  5  1  0\n  9  5  2  0\n 10  9  1  0\n 11  8  2  0\n 12  7  1  0\n 13 10  2  0\n 14 11  1  0\n 15  3  2  0\n 16  4  1  0\n 17 15  1  0\n 18 17  2  0\n 19 12  2  0\n 20 12  1  0\n 21 16  1  0\n 22 19  1  0\n 23 20  2  0\n 24 23  1  0\n 18  9  1  0\n 24 22  2  0\n 11 13  1  0\nM  END\n> <chembl_id>\nCHEMBL151378\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C20H20N2O2/c1-2-22(14-15-7-4-3-5-8-15)20(24)21-19-10-6-9-16-11-12-17(23)13-18(16)19/h3-13,23H,2,14H2,1H3,(H,21,24)", "standard_inchi_key": "CXHBPZXJTRSPFC-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}