{"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": "CHEMBL3765179", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3765179", "molecule_chembl_id": "CHEMBL3765179", "parent_chembl_id": "CHEMBL3765179"}, "molecule_properties": {"alogp": "2.01", "aromatic_rings": 1, "full_molformula": "C13H17F2N3O3", "full_mwt": "301.29", "hba": 3, "hbd": 4, "heavy_atoms": 21, "mw_freebase": "301.29", "np_likeness_score": "-1.15", "num_ro5_violations": 0, "psa": "90.46", "qed_weighted": "0.50", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "CC(C)C[C@H](NC(=O)Nc1c(F)cccc1F)C(=O)NO", "molfile": "\n     RDKit          2D\n\n 21 21  0  0  0  0  0  0  0  0999 V2000\n    5.1894   -6.0109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8912   -5.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5886   -6.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2912   -5.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2497   -5.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2297   -5.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1873   -7.5117    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2253   -8.1139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2954   -4.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8933   -3.7570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5951   -3.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5548   -3.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5973   -1.5031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3383    1.3500    0.0000 F   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  1  6  2  0\n  7  8  1  0\n  1  7  1  0\n  4  9  1  0\n 10 11  1  0\n 11 12  2  0\n 11 13  1  0\n 14 15  1  0\n 15 16  2  0\n 16 17  1  0\n 17 18  2  0\n 18 19  1  0\n 14 19  2  0\n 19 20  1  0\n 15 21  1  0\n 13 14  1  0\n  2 10  1  6\nM  END\n> <chembl_id>\nCHEMBL3765179\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H17F2N3O3/c1-7(2)6-10(12(19)18-21)16-13(20)17-11-8(14)4-3-5-9(11)15/h3-5,7,10,21H,6H2,1-2H3,(H,18,19)(H2,16,17,20)/t10-/m0/s1", "standard_inchi_key": "KRVHVJXEUOXCTL-JTQLQIEISA-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}