{"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": "CHEMBL4930035", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4930035", "molecule_chembl_id": "CHEMBL4930035", "parent_chembl_id": "CHEMBL4930035"}, "molecule_properties": {"alogp": "2.46", "aromatic_rings": 1, "full_molformula": "C13H17NO", "full_mwt": "203.28", "hba": 2, "hbd": 1, "heavy_atoms": 15, "mw_freebase": "203.28", "np_likeness_score": "-0.02", "num_ro5_violations": 0, "psa": "21.26", "qed_weighted": "0.81", "ro3_pass": "Y", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CCOc1ccccc1C1=CCNCC1", "molfile": "Compound 2706\n     RDKit          2D\n\n 15 16  0  0  0  0  0  0  0  0999 V2000\n    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2916    0.7584   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3153    0.7584   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5832    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2798    2.2751   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6306    0.0237   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5714   -1.4694   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8748    0.7821   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5714    3.0454   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2561   -2.2040   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8630   -2.2040   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8630    2.2988   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2442   -3.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8511   -3.6971   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5358   -4.4318   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  1  3  1  0\n  2  4  2  0\n  2  5  1  0\n  3  6  1  0\n  4  7  1  0\n  4  8  1  0\n  5  9  2  0\n  7 10  2  0\n  7 11  1  0\n  8 12  2  0\n 10 13  1  0\n 11 14  1  0\n 13 15  1  0\n  9 12  1  0\n 14 15  1  0\nM  END\n> <chembl_id>\nCHEMBL4930035\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H17NO/c1-2-15-13-6-4-3-5-12(13)11-7-9-14-10-8-11/h3-7,14H,2,8-10H2,1H3", "standard_inchi_key": "DSKRQIMCCMXDBP-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Unknown", "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}