{"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": "CHEMBL1606928", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1606928", "molecule_chembl_id": "CHEMBL1606928", "parent_chembl_id": "CHEMBL1606928"}, "molecule_properties": {"alogp": "4.79", "aromatic_rings": 2, "full_molformula": "C20H24N2O2", "full_mwt": "324.42", "hba": 2, "hbd": 2, "heavy_atoms": 24, "mw_freebase": "324.42", "np_likeness_score": "-1.01", "num_ro5_violations": 0, "psa": "50.36", "qed_weighted": "0.83", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(OC)cc2)c1", "molfile": "\n     RDKit          2D\n\n 24 25  0  0  0  0  0  0  0  0999 V2000\n   -2.8363   -1.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7360   -1.7227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5508   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1218   -0.0727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5508    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5508    1.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2653    1.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2653    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8363   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8363    1.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4074   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.3758    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7258    0.7523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5508    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8363    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9797    3.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6929   -0.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4074   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0216   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0216   -0.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6929   -1.7227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9797    4.0523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6942    2.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4505   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  2  0\n  2 19  1  0\n  2 24  1  0\n  3  5  1  0\n  3  9  1  0\n  4  9  1  0\n  4 11  1  0\n  5  6  1  0\n  5 12  1  0\n  5 13  1  0\n  6  7  1  0\n  6 10  2  0\n  7  8  2  0\n  8 14  1  0\n  8 16  1  0\n 10 15  1  0\n 11 17  2  0\n 11 18  1  0\n 14 15  2  0\n 16 22  2  0\n 16 23  1  0\n 17 20  1  0\n 18 21  2  0\n 19 20  2  0\n 19 21  1  0\nM  END\n> <chembl_id>\nCHEMBL1606928\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C20H24N2O2/c1-14(2)15-7-6-8-16(13-15)20(3,4)22-19(23)21-17-9-11-18(24-5)12-10-17/h6-13H,1H2,2-5H3,(H2,21,22,23)", "standard_inchi_key": "COICAVVRBNKTHS-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}