{"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": "CHEMBL1499898", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1499898", "molecule_chembl_id": "CHEMBL1499898", "parent_chembl_id": "CHEMBL1499898"}, "molecule_properties": {"alogp": "2.24", "aromatic_rings": 2, "full_molformula": "C17H22N2O2", "full_mwt": "286.38", "hba": 4, "hbd": 0, "heavy_atoms": 21, "mw_freebase": "286.38", "np_likeness_score": "-1.08", "num_ro5_violations": 0, "psa": "36.69", "qed_weighted": "0.81", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CCN1CCN(Cc2cc(=O)oc3ccc(C)cc23)CC1", "molfile": "\n     RDKit          2D\n\n 21 23  0  0  0  0  0  0  0  0999 V2000\n   -0.7420    3.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1710    3.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4565    0.1648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8854   -0.6602    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0275    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7420    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0275    2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4565    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4565    2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6869    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7420    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6869    3.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4014    1.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4014    2.6398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4565   -0.6602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1710    0.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1710   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8854    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1159    1.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5999   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5999   -1.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  7  1  0\n  1  9  1  0\n  2  9  2  0\n  3 11  1  0\n  3 15  1  0\n  3 16  1  0\n  4 17  1  0\n  4 18  1  0\n  4 20  1  0\n  5  6  1  0\n  5  7  1  0\n  5 10  2  0\n  6  8  2  0\n  6 11  1  0\n  7 12  2  0\n  8  9  1  0\n 10 13  1  0\n 12 14  1  0\n 13 14  2  0\n 13 19  1  0\n 15 17  1  0\n 16 18  1  0\n 20 21  1  0\nM  END\n> <chembl_id>\nCHEMBL1499898\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H22N2O2/c1-3-18-6-8-19(9-7-18)12-14-11-17(20)21-16-5-4-13(2)10-15(14)16/h4-5,10-11H,3,6-9,12H2,1-2H3", "standard_inchi_key": "ZJLIYYIBZUILAL-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 1, "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}