{"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": "CHEMBL1352545", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1352545", "molecule_chembl_id": "CHEMBL1352545", "parent_chembl_id": "CHEMBL1352545"}, "molecule_properties": {"alogp": "3.62", "aromatic_rings": 1, "full_molformula": "C12H18ClN", "full_mwt": "211.74", "hba": 1, "hbd": 1, "heavy_atoms": 14, "mw_freebase": "211.74", "np_likeness_score": "-0.93", "num_ro5_violations": 0, "psa": "12.03", "qed_weighted": "0.71", "ro3_pass": "N", "rtb": 6}, "molecule_structures": {"canonical_smiles": "CCCCCNCc1ccc(Cl)cc1", "molfile": "\n     RDKit          2D\n\n 14 14  0  0  0  0  0  0  0  0999 V2000\n   -2.0429   -2.4184    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.5295   -1.1809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1005   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3284   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1005   -2.0059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6139   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6139   -2.4184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3284   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8150   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2439   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9584   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6729   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3874   -1.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1018   -0.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0\n  2  9  1  0\n  2 10  1  0\n  3  5  2  0\n  3  6  1  0\n  3  9  1  0\n  4  7  2  0\n  4  8  1  0\n  5  7  1  0\n  6  8  2  0\n 10 11  1  0\n 11 12  1  0\n 12 13  1  0\n 13 14  1  0\nM  END\n> <chembl_id>\nCHEMBL1352545\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C12H18ClN/c1-2-3-4-9-14-10-11-5-7-12(13)8-6-11/h5-8,14H,2-4,9-10H2,1H3", "standard_inchi_key": "RYXSGPZPYZUXCN-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}