{"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": "CHEMBL4531836", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4531836", "molecule_chembl_id": "CHEMBL4531836", "parent_chembl_id": "CHEMBL4531836"}, "molecule_properties": {"alogp": "2.00", "aromatic_rings": 1, "full_molformula": "C13H20N2", "full_mwt": "204.32", "hba": 2, "hbd": 1, "heavy_atoms": 15, "mw_freebase": "204.32", "np_likeness_score": "-0.50", "num_ro5_violations": 0, "psa": "29.26", "qed_weighted": "0.81", "ro3_pass": "N", "rtb": 4}, "molecule_structures": {"canonical_smiles": "CN(Cc1ccccc1)C1(CN)CCC1", "molfile": "\n     RDKit          2D\n\n 15 16  0  0  0  0  0  0  0  0999 V2000\n   -1.2124    1.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3454    0.6874    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5196    1.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5176    2.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3494    2.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3516    3.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5136    4.1890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3806    3.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3826    2.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3434   -0.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3434   -0.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8416   -1.1816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6566   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6586   -1.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3414   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  4  5  2  0\n  5  6  1  0\n  6  7  2  0\n  7  8  1  0\n  8  9  2  0\n  2 10  1  0\n 10 11  1  0\n 11 12  1  0\n 10 13  1  0\n 13 14  1  0\n 14 15  1  0\n  9  4  1  0\n 15 10  1  0\nM  END\n> <chembl_id>\nCHEMBL4531836\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H20N2/c1-15(13(11-14)8-5-9-13)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11,14H2,1H3", "standard_inchi_key": "GLFIQASVJDZWCY-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}