{"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": "CHEMBL68869", "molecule_hierarchy": {"active_chembl_id": "CHEMBL68869", "molecule_chembl_id": "CHEMBL68869", "parent_chembl_id": "CHEMBL68869"}, "molecule_properties": {"alogp": "6.51", "aromatic_rings": 2, "full_molformula": "C23H30O2", "full_mwt": "338.49", "hba": 2, "hbd": 1, "heavy_atoms": 25, "mw_freebase": "338.49", "np_likeness_score": "1.14", "num_ro5_violations": 1, "psa": "29.46", "qed_weighted": "0.61", "ro3_pass": "N", "rtb": 6}, "molecule_structures": {"canonical_smiles": "CCCCCCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2", "molfile": "\n     RDKit          2D\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n    4.5167   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8042   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5167   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8042   -8.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2292   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3792   -6.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8042   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2292   -8.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9542   -6.8792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9542   -7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2292   -5.6292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -5.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3792   -5.6292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4167   -7.2917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -8.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6875   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0917   -4.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4167   -7.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2792   -7.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5667   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8542   -7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1417   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.9917   -8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  2  0\n  4  3  1  0\n  5  2  2  0\n  6  4  1  0\n  7  1  1  0\n  8  5  1  0\n  9  2  1  0\n 10  3  1  0\n 11  7  2  0\n 12 11  1  0\n 13  7  1  0\n 14  9  2  0\n 15 14  1  0\n 16  6  1  0\n 17  6  1  0\n 18 12  1  0\n 19 14  1  0\n 20 18  1  0\n 21 22  1  0\n 22 23  1  0\n 23 24  1  0\n 24 20  1  0\n 25 21  1  0\n 12 10  2  0\n  6  5  1  0\n 15  8  2  0\nM  END\n> <chembl_id>\nCHEMBL68869\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C23H30O2/c1-5-6-7-8-9-10-17-14-20(24)22-18-13-16(2)11-12-19(18)23(3,4)25-21(22)15-17/h11-15,24H,5-10H2,1-4H3", "standard_inchi_key": "HMHJWPZANYJXHX-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}