{"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": "CHEMBL2321937", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2321937", "molecule_chembl_id": "CHEMBL2321937", "parent_chembl_id": "CHEMBL2321937"}, "molecule_properties": {"alogp": "4.36", "aromatic_rings": 2, "full_molformula": "C20H24N2O", "full_mwt": "308.43", "hba": 2, "hbd": 2, "heavy_atoms": 23, "mw_freebase": "308.43", "np_likeness_score": "-1.18", "num_ro5_violations": 0, "psa": "41.13", "qed_weighted": "0.86", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "O=C(NC1CCCCC1)c1ccccc1NCc1ccccc1", "molfile": "\n     RDKit          2D\n\n 23 25  0  0  0  0  0  0  0  0999 V2000\n   27.0815   -1.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.0803   -1.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.7884   -2.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.4980   -1.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.4952   -1.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.7866   -0.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.2014   -0.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.1983    0.1340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   29.2064   -2.3285    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   29.9106   -1.0930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   29.9134   -1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.6218   -2.3263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.6184   -3.1419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.3260   -3.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.0340   -3.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.0301   -2.3181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.3220   -1.9144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.6168   -0.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.3246   -1.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.0287   -0.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   32.0298    0.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   31.3207    0.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   30.6105    0.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  4  2  0\n  4  5  1  0\n  5  6  2  0\n  6  1  1  0\n  5  7  1  0\n  7  8  2  0\n  4  9  1  0\n  7 10  1  0\n  9 11  1  0\n 11 12  1  0\n 12 13  2  0\n 13 14  1  0\n 14 15  2  0\n 15 16  1  0\n 16 17  2  0\n 17 12  1  0\n 10 18  1  0\n 18 19  1  0\n 18 23  1  0\n 19 20  1  0\n 20 21  1  0\n 21 22  1  0\n 22 23  1  0\nM  END\n> <chembl_id>\nCHEMBL2321937\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C20H24N2O/c23-20(22-17-11-5-2-6-12-17)18-13-7-8-14-19(18)21-15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,21H,2,5-6,11-12,15H2,(H,22,23)", "standard_inchi_key": "BOKBMBCNPSSNRO-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}