{"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": "CHEMBL4874376", "molecule_hierarchy": {"active_chembl_id": "CHEMBL4874376", "molecule_chembl_id": "CHEMBL4874376", "parent_chembl_id": "CHEMBL4874376"}, "molecule_properties": {"alogp": "2.97", "aromatic_rings": 4, "full_molformula": "C17H13N5O2", "full_mwt": "319.32", "hba": 6, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "319.32", "np_likeness_score": "-2.54", "num_ro5_violations": 0, "psa": "85.84", "qed_weighted": "0.63", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "Cc1c(C(=O)Nc2cccc(-n3cnnn3)c2)oc2ccccc12", "molfile": " \n     RDKit          2D\n\n 24 27  0  0  0  0  0  0  0  0999 V2000\n    1.0235  -18.0113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0223  -18.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7371  -19.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7353  -17.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4506  -18.0077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4555  -18.8386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2473  -19.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7319  -18.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2395  -17.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5069  -19.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5568  -18.4108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9736  -19.1228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9651  -17.6940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7984  -19.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2130  -19.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0373  -19.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4463  -19.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0252  -18.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2024  -18.4013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4563  -20.5335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1249  -21.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7410  -21.8376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4532  -21.4212    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2772  -20.6153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0\n  2  3  1  0\n  3  6  2  0\n  5  4  2  0\n  4  1  1  0\n  5  6  1  0\n  6  7  1  0\n  7  8  2  0\n  8  9  1  0\n  9  5  1  0\n  7 10  1  0\n  8 11  1  0\n 11 12  1  0\n 11 13  2  0\n 12 14  1  0\n 14 15  2  0\n 15 16  1  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19 14  1  0\n 20 21  1  0\n 21 22  2  0\n 22 23  1  0\n 23 24  2  0\n 24 20  1  0\n 16 20  1  0\nM  END\n> <chembl_id>\nCHEMBL4874376\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H13N5O2/c1-11-14-7-2-3-8-15(14)24-16(11)17(23)19-12-5-4-6-13(9-12)22-10-18-20-21-22/h2-10H,1H3,(H,19,23)", "standard_inchi_key": "GEZPWOZMOXKRRT-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Unknown", "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}