{"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": "CHEMBL1456190", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1456190", "molecule_chembl_id": "CHEMBL1456190", "parent_chembl_id": "CHEMBL1456190"}, "molecule_properties": {"alogp": "3.40", "aromatic_rings": 3, "full_molformula": "C19H22N2O3", "full_mwt": "326.40", "hba": 5, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "326.40", "np_likeness_score": "-1.19", "num_ro5_violations": 0, "psa": "56.51", "qed_weighted": "0.64", "ro3_pass": "N", "rtb": 8}, "molecule_structures": {"canonical_smiles": "COc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1", "molfile": "\n     RDKit          2D\n\n 24 26  0  0  0  0  0  0  0  0999 V2000\n    4.0133    0.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7963   -2.3266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0616   -0.6766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3687   -1.9141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2619   -0.9221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1223   -2.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6744   -1.6366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4549   -1.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3773   -3.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4813   -1.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6542   -2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8418   -0.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1842   -3.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7363   -2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9397   -1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0818   -1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3471   -1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2252   -2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6326   -2.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0818   -1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3471   -1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6326   -0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5108   -1.9141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7761   -1.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 12  1  0\n  2 16  1  0\n  2 23  1  0\n  3 17  1  0\n  3 24  1  0\n  4  6  1  0\n  4  8  1  0\n  4 11  1  0\n  5  7  1  0\n  5  8  2  0\n  6  7  1  0\n  6  9  2  0\n  7 10  2  0\n  8 12  1  0\n  9 13  1  0\n 10 14  1  0\n 11 15  1  0\n 13 14  2  0\n 15 18  1  0\n 16 19  2  0\n 16 20  1  0\n 17 21  2  0\n 17 22  1  0\n 18 23  1  0\n 19 21  1  0\n 20 22  2  0\nM  END\n> <chembl_id>\nCHEMBL1456190\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H22N2O3/c1-23-15-8-10-16(11-9-15)24-13-5-4-12-21-18-7-3-2-6-17(18)20-19(21)14-22/h2-3,6-11,22H,4-5,12-14H2,1H3", "standard_inchi_key": "DFYOGXWPMVNGLY-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}