{"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": "CHEMBL572660", "molecule_hierarchy": {"active_chembl_id": "CHEMBL572660", "molecule_chembl_id": "CHEMBL572660", "parent_chembl_id": "CHEMBL572660"}, "molecule_properties": {"alogp": "0.30", "aromatic_rings": 2, "full_molformula": "C16H24N4O2", "full_mwt": "304.39", "hba": 6, "hbd": 1, "heavy_atoms": 22, "mw_freebase": "304.39", "np_likeness_score": "-1.70", "num_ro5_violations": 0, "psa": "51.43", "qed_weighted": "0.81", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "Cn1c(=O)n(C)c2cc(CNCCN3CCOCC3)ccc21", "molfile": "\n     RDKit          2D\n\n 22 24  0  0  0  0  0  0  0  0999 V2000\n    6.2813  -19.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4958  -21.2727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3264  -21.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7143  -20.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0618  -20.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4538  -19.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8857  -19.2441    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1426  -19.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2515  -20.4166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4171  -19.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0349  -18.4328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6540  -20.9853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5389  -20.4883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9272  -19.7604    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7517  -19.7328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1400  -19.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9645  -18.9772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3976  -19.6774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2185  -19.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.6107  -18.9257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1758  -18.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3485  -18.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  5  6  1  0\n  7 11  1  0\n  5  2  2  0\n  9 12  1  0\n  1  6  2  0\n  4 13  1  0\n  2  3  1  0\n 13 14  1  0\n 14 15  1  0\n  3  4  2  0\n 15 16  1  0\n  6  7  1  0\n 16 17  1  0\n 17 18  1  0\n  7  8  1  0\n  8  9  1  0\n  9  5  1  0\n  4  1  1  0\n  8 10  2  0\n 17 22  1  0\n 18 19  1  0\n 19 20  1  0\n 20 21  1  0\n 21 22  1  0\nM  END\n> <chembl_id>\nCHEMBL572660\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C16H24N4O2/c1-18-14-4-3-13(11-15(14)19(2)16(18)21)12-17-5-6-20-7-9-22-10-8-20/h3-4,11,17H,5-10,12H2,1-2H3", "standard_inchi_key": "HXTAEICWENAHHH-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}