{"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": "CHEMBL1353786", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1353786", "molecule_chembl_id": "CHEMBL1353786", "parent_chembl_id": "CHEMBL1353786"}, "molecule_properties": {"alogp": "3.45", "aromatic_rings": 3, "full_molformula": "C17H18N2O", "full_mwt": "266.34", "hba": 3, "hbd": 1, "heavy_atoms": 20, "mw_freebase": "266.34", "np_likeness_score": "-1.42", "num_ro5_violations": 0, "psa": "38.05", "qed_weighted": "0.79", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n   -0.7040    1.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0184   -0.2134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0184    1.1215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8030    0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5335    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8030    0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7635   -0.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2915    0.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5175   -0.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5175    1.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3155   -1.6111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2320    0.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2320    0.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0606   -2.3957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1225   -1.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6126   -3.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7040   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6745   -2.0527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4196   -2.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3576   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0\n  2  4  1  0\n  2  5  1  0\n  2  7  1  0\n  3  5  2  0\n  3  6  1  0\n  4  6  1  0\n  4  9  2  0\n  5  8  1  0\n  6 10  2  0\n  7 11  1  0\n  8 17  1  0\n  9 12  1  0\n 10 13  1  0\n 11 14  1  0\n 11 15  2  0\n 12 13  2  0\n 14 16  2  0\n 15 18  1  0\n 16 19  1  0\n 16 20  1  0\n 18 19  2  0\nM  END\n> <chembl_id>\nCHEMBL1353786\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H18N2O/c1-12-6-5-7-14(10-12)11-19-16-9-4-3-8-15(16)18-17(19)13(2)20/h3-10,13,20H,11H2,1-2H3", "standard_inchi_key": "LGMRTDDVDMYGIO-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}