{"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": "CHEMBL600293", "molecule_hierarchy": {"active_chembl_id": "CHEMBL600293", "molecule_chembl_id": "CHEMBL600293", "parent_chembl_id": "CHEMBL600293"}, "molecule_properties": {"alogp": "3.32", "aromatic_rings": 2, "full_molformula": "C14H15NO3", "full_mwt": "245.28", "hba": 3, "hbd": 1, "heavy_atoms": 18, "mw_freebase": "245.28", "np_likeness_score": "-1.78", "num_ro5_violations": 0, "psa": "51.47", "qed_weighted": "0.88", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "CCCOc1ccc(NC(=O)c2ccco2)cc1", "molfile": "\n     RDKit          2D\n\n 18 19  0  0  0  0  0  0  0  0999 V2000\n   -2.4469    4.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7325    3.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7325    2.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0180    2.3705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0180    1.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3035    1.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3035    0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0180   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.0180   -0.9295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3035   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4109   -0.9295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3035   -2.1670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3639   -2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1090   -3.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7160   -3.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9710   -2.6519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7325    0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7325    1.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  1  0\n  3  4  1  0\n  4  5  1  0\n  5  6  2  0\n  6  7  1  0\n  7  8  2  0\n  8  9  1  0\n  9 10  1  0\n 10 11  2  0\n 10 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 12  1  0\n  8 17  1  0\n 17 18  2  0\n 18  5  1  0\nM  END\n> <chembl_id>\nCHEMBL600293\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H15NO3/c1-2-9-17-12-7-5-11(6-8-12)15-14(16)13-4-3-10-18-13/h3-8,10H,2,9H2,1H3,(H,15,16)", "standard_inchi_key": "XAXIHUNIZPWQOY-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}