{"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": "CHEMBL1518275", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1518275", "molecule_chembl_id": "CHEMBL1518275", "parent_chembl_id": "CHEMBL1518275"}, "molecule_properties": {"alogp": "3.35", "aromatic_rings": 3, "full_molformula": "C19H22N2O2", "full_mwt": "310.40", "hba": 4, "hbd": 1, "heavy_atoms": 23, "mw_freebase": "310.40", "np_likeness_score": "-1.55", "num_ro5_violations": 0, "psa": "47.28", "qed_weighted": "0.73", "ro3_pass": "N", "rtb": 7}, "molecule_structures": {"canonical_smiles": "Cc1cccc(OCCn2c(CCCO)nc3ccccc32)c1", "molfile": "\n     RDKit          2D\n\n 23 25  0  0  0  0  0  0  0  0999 V2000\n    0.7862   -2.0975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8569    1.7397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1030   -0.3567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1030    0.9782    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8876   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8876    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6181    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6021   -0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8481   -1.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6021    1.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7931    0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3166   -0.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3166    0.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0411   -1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3382   -2.7106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3806    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1452   -2.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6972   -3.1521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0833   -3.4952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4423   -3.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6353   -4.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4444    1.0252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5042   -2.9806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 14  1  0\n  1 15  1  0\n  2 22  1  0\n  3  5  1  0\n  3  7  1  0\n  3  9  1  0\n  4  6  1  0\n  4  7  2  0\n  5  6  1  0\n  5  8  2  0\n  6 10  2  0\n  7 11  1  0\n  8 12  1  0\n  9 14  1  0\n 10 13  1  0\n 11 16  1  0\n 12 13  2  0\n 15 17  2  0\n 15 19  1  0\n 16 22  1  0\n 17 18  1  0\n 18 20  2  0\n 18 23  1  0\n 19 21  2  0\n 20 21  1  0\nM  END\n> <chembl_id>\nCHEMBL1518275\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H22N2O2/c1-15-6-4-7-16(14-15)23-13-11-21-18-9-3-2-8-17(18)20-19(21)10-5-12-22/h2-4,6-9,14,22H,5,10-13H2,1H3", "standard_inchi_key": "CTVPZOHMDPZXSW-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}