{"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": "CHEMBL1559978", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1463340", "molecule_chembl_id": "CHEMBL1559978", "parent_chembl_id": "CHEMBL1463340"}, "molecule_properties": {"alogp": "3.60", "aromatic_rings": 2, "full_molformula": "C18H24ClNO4", "full_mwt": "353.85", "hba": 5, "hbd": 0, "heavy_atoms": 23, "mw_freebase": "317.39", "np_likeness_score": "-0.68", "num_ro5_violations": 0, "psa": "51.91", "qed_weighted": "0.79", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "CCOC(=O)c1c(CN2CCCCC2)oc2ccc(OC)cc12.Cl", "molfile": "\n     RDKit          2D\n\n 24 25  0  0  0  0  0  0  0  0999 V2000\n    5.1992    0.7633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4963   -1.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1373   -1.5277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1272   -0.7291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4768    0.8103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1992   -0.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9838   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7143    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9838    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9443   -1.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6983   -0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6983    0.9209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8893    0.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4128   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4128    0.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6518    0.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8893    1.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3033   -1.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2393    1.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4768    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6518    2.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8417   -0.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8553   -2.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0\n  1  9  1  0\n  2 10  1  0\n  2 18  1  0\n  3 10  2  0\n  4 14  1  0\n  4 22  1  0\n  5 13  1  0\n  5 16  1  0\n  5 17  1  0\n  6  7  1  0\n  6  8  2  0\n  6 10  1  0\n  7  9  1  0\n  7 11  2  0\n  8 13  1  0\n  9 12  2  0\n 11 14  1  0\n 12 15  1  0\n 14 15  2  0\n 16 19  1  0\n 17 20  1  0\n 18 23  1  0\n 19 21  1  0\n 20 21  1  0\nM  END\n> <chembl_id>\nCHEMBL1559978\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H23NO4.ClH/c1-3-22-18(20)17-14-11-13(21-2)7-8-15(14)23-16(17)12-19-9-5-4-6-10-19;/h7-8,11H,3-6,9-10,12H2,1-2H3;1H", "standard_inchi_key": "HGZSBQVMILARPH-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}