{"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": "CHEMBL1707736", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1707736", "molecule_chembl_id": "CHEMBL1707736", "parent_chembl_id": "CHEMBL1707736"}, "molecule_properties": {"alogp": "3.33", "aromatic_rings": 2, "full_molformula": "C17H19NO", "full_mwt": "253.34", "hba": 1, "hbd": 1, "heavy_atoms": 19, "mw_freebase": "253.34", "np_likeness_score": "-0.75", "num_ro5_violations": 0, "psa": "29.10", "qed_weighted": "0.84", "ro3_pass": "N", "rtb": 6}, "molecule_structures": {"canonical_smiles": "O=C(CCCc1ccccc1)NCc1ccccc1", "molfile": "\n     RDKit          2D\n\n 19 20  0  0  0  0  0  0  0  0999 V2000\n    1.7722   -3.4951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0577   -2.2576    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3712   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6301   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3432   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7722   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0857   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3712   -1.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9156   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4866   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3445   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6301   -3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2011   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8002   -2.2576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0857   -1.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8002   -1.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0590   -2.6701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3445   -3.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0590   -3.4951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  6  2  0\n  2  5  1  0\n  2  6  1  0\n  3  5  1  0\n  3  7  2  0\n  3  8  1  0\n  4  9  1  0\n  4 11  2  0\n  4 12  1  0\n  6 10  1  0\n  7 14  1  0\n  8 15  2  0\n  9 13  1  0\n 10 13  1  0\n 11 17  1  0\n 12 18  2  0\n 14 16  2  0\n 15 16  1  0\n 17 19  2  0\n 18 19  1  0\nM  END\n> <chembl_id>\nCHEMBL1707736\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H19NO/c19-17(18-14-16-10-5-2-6-11-16)13-7-12-15-8-3-1-4-9-15/h1-6,8-11H,7,12-14H2,(H,18,19)", "standard_inchi_key": "KEJVNASKYBEZQN-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}