{"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": "CHEMBL1901422", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1901422", "molecule_chembl_id": "CHEMBL1901422", "parent_chembl_id": "CHEMBL1901422"}, "molecule_properties": {"alogp": "3.68", "aromatic_rings": 2, "full_molformula": "C15H12ClF3N2O", "full_mwt": "328.72", "hba": 2, "hbd": 1, "heavy_atoms": 22, "mw_freebase": "328.72", "np_likeness_score": "-1.40", "num_ro5_violations": 0, "psa": "55.98", "qed_weighted": "0.93", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "Cc1cccc(C(C(N)=O)c2ncc(C(F)(F)F)cc2Cl)c1", "molfile": "\n     RDKit          2D\n\n 22 23  0  0  0  0  0  0  0  0999 V2000\n   -2.1338   -1.5659    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049    1.7341    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.5299    0.9091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1201    0.9091    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0096   -3.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0096   -1.1534    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7241   -2.3909    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049   -1.5659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049   -2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049    0.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4193   -1.1534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7049    0.9091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4193   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4193   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0096   -0.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0096   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4193   -3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1338   -2.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1338   -4.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8483   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8483   -3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1338   -4.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 11  1  0\n  2 12  1  0\n  3 12  1  0\n  4 12  1  0\n  5 16  2  0\n  6  8  2  0\n  6 15  1  0\n  7 16  1  0\n  8  9  1  0\n  8 11  1  0\n  9 13  1  0\n  9 16  1  0\n 10 12  1  0\n 10 14  1  0\n 10 15  2  0\n 11 14  2  0\n 13 17  2  0\n 13 18  1  0\n 17 19  1  0\n 18 20  2  0\n 19 21  2  0\n 19 22  1  0\n 20 21  1  0\nM  END\n> <chembl_id>\nCHEMBL1901422\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H12ClF3N2O/c1-8-3-2-4-9(5-8)12(14(20)22)13-11(16)6-10(7-21-13)15(17,18)19/h2-7,12H,1H3,(H2,20,22)", "standard_inchi_key": "MGQYBMPJVSCQHN-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}