{"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": "CHEMBL1454113", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1454113", "molecule_chembl_id": "CHEMBL1454113", "parent_chembl_id": "CHEMBL1454113"}, "molecule_properties": {"alogp": "3.60", "aromatic_rings": 1, "full_molformula": "C13H8F3N3", "full_mwt": "263.22", "hba": 2, "hbd": 1, "heavy_atoms": 19, "mw_freebase": "263.22", "np_likeness_score": "-1.09", "num_ro5_violations": 0, "psa": "41.57", "qed_weighted": "0.73", "ro3_pass": "N", "rtb": 1}, "molecule_structures": {"canonical_smiles": "FC(F)(F)c1c[nH]c2c(-c3ccccc3)nnc-2c1", "molfile": "\n     RDKit          2D\n\n 19 21  0  0  0  0  0  0  0  0999 V2000\n    2.6627    1.2468    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5357    1.5488    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3607    0.1198    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5192   -0.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9798    0.6767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4648    0.0093    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1952   -0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.1952    0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9798   -0.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2337    0.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5192    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9482    0.8343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2348   -1.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2337   -0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6827   -2.0559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0418   -1.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9377   -2.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.2967   -2.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7447   -3.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 12  1  0\n  2 12  1  0\n  3 12  1  0\n  4  7  1  0\n  4 14  1  0\n  5  6  2  0\n  5  8  1  0\n  6  9  1  0\n  7  8  1  0\n  7  9  2  0\n  8 11  2  0\n  9 13  1  0\n 10 11  1  0\n 10 12  1  0\n 10 14  2  0\n 13 15  2  0\n 13 16  1  0\n 15 17  1  0\n 16 18  2  0\n 17 19  2  0\n 18 19  1  0\nM  END\n> <chembl_id>\nCHEMBL1454113\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H8F3N3/c14-13(15,16)9-6-10-12(17-7-9)11(19-18-10)8-4-2-1-3-5-8/h1-7,17H", "standard_inchi_key": "MMNAKMWOCMAJNU-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}