{"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": "CHEMBL491195", "molecule_hierarchy": {"active_chembl_id": "CHEMBL491195", "molecule_chembl_id": "CHEMBL491195", "parent_chembl_id": "CHEMBL491195"}, "molecule_properties": {"alogp": "2.65", "aromatic_rings": 3, "full_molformula": "C13H10ClN3O", "full_mwt": "259.70", "hba": 3, "hbd": 1, "heavy_atoms": 18, "mw_freebase": "259.70", "np_likeness_score": "-1.50", "num_ro5_violations": 0, "psa": "50.16", "qed_weighted": "0.73", "ro3_pass": "Y", "rtb": 1}, "molecule_structures": {"canonical_smiles": "Cc1cc(=O)n2ncc(-c3ccc(Cl)cc3)c2[nH]1", "molfile": "\n     RDKit          2D\n\n 18 20  0  0  0  0  0  0  0  0999 V2000\n    8.5144    1.3524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5144    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8000    0.1149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8000    1.7649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0855    1.3524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0855    0.5274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3009    0.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8160    0.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3009    1.6073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0459   -0.5122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5980   -1.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3430   -1.9099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5361   -2.0814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9840   -1.4683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2390   -0.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8000    2.5899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2811   -2.8660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.2289    0.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  8  9  2  0\n  9  5  1  0\n  5  4  1  0\n  5  6  1  0\n 10 11  2  0\n 11 12  1  0\n  1  2  2  0\n 12 13  2  0\n  1  4  1  0\n 13 14  1  0\n  2  3  1  0\n 14 15  2  0\n 15 10  1  0\n  7 10  1  0\n  3  6  1  0\n  4 16  2  0\n  6  7  2  0\n 13 17  1  0\n  7  8  1  0\n  2 18  1  0\nM  END\n> <chembl_id>\nCHEMBL491195\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H10ClN3O/c1-8-6-12(18)17-13(16-8)11(7-15-17)9-2-4-10(14)5-3-9/h2-7,16H,1H3", "standard_inchi_key": "UHQBVUZOQNRBFY-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}