{"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": "CHEMBL1607718", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1607718", "molecule_chembl_id": "CHEMBL1607718", "parent_chembl_id": "CHEMBL1607718"}, "molecule_properties": {"alogp": "2.00", "aromatic_rings": 2, "full_molformula": "C19H18N2O4", "full_mwt": "338.36", "hba": 4, "hbd": 1, "heavy_atoms": 25, "mw_freebase": "338.36", "np_likeness_score": "-1.15", "num_ro5_violations": 0, "psa": "75.71", "qed_weighted": "0.82", "ro3_pass": "N", "rtb": 6}, "molecule_structures": {"canonical_smiles": "COc1ccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1", "molfile": "\n     RDKit          2D\n\n 25 27  0  0  0  0  0  0  0  0999 V2000\n    0.0432    0.2858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4953   -2.2293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1118    0.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3987   -2.0942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9684   -0.8567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8263   -0.8567    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3373   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0752   -1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2147   -0.5212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8822   -1.6772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1623   -1.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3373   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6829   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5748   -1.8487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.1623   -2.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3974   -0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1118   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2552   -0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5408   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6842   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9697   -0.4442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2552   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6842   -0.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9697   -2.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1131   -1.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  2  0\n  2 10  2  0\n  3 17  2  0\n  4 20  1  0\n  4 25  1  0\n  5  9  1  0\n  5 10  1  0\n  5 13  1  0\n  6 17  1  0\n  6 19  1  0\n  7  8  1  0\n  7  9  1  0\n  7 11  2  0\n  8 10  1  0\n  8 12  2  0\n 11 14  1  0\n 12 15  1  0\n 13 16  1  0\n 14 15  2  0\n 16 17  1  0\n 18 19  1  0\n 18 21  2  0\n 18 22  1  0\n 20 23  2  0\n 20 24  1  0\n 21 23  1  0\n 22 24  2  0\nM  END\n> <chembl_id>\nCHEMBL1607718\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C19H18N2O4/c1-25-14-8-6-13(7-9-14)12-20-17(22)10-11-21-18(23)15-4-2-3-5-16(15)19(21)24/h2-9H,10-12H2,1H3,(H,20,22)", "standard_inchi_key": "XRFUDRKOTBXILY-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}