{"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": "CHEMBL1322146", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1322146", "molecule_chembl_id": "CHEMBL1322146", "parent_chembl_id": "CHEMBL1322146"}, "molecule_properties": {"alogp": "2.36", "aromatic_rings": 3, "full_molformula": "C14H13ClN6O", "full_mwt": "316.75", "hba": 6, "hbd": 1, "heavy_atoms": 22, "mw_freebase": "316.75", "np_likeness_score": "-1.98", "num_ro5_violations": 0, "psa": "77.63", "qed_weighted": "0.80", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CCNC(=O)n1cc(-n2cncn2)c(-c2ccc(Cl)cc2)n1", "molfile": "\n     RDKit          2D\n\n 22 24  0  0  0  0  0  0  0  0999 V2000\n    3.8196   -3.4565    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    2.1818    1.7203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4674    0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5699   -1.4542    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1348   -0.0022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8249   -2.2389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5100   -2.2389    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7529    1.7203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0549   -0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8799   -0.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7999   -0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3648   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4674    1.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.2551   -1.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1853   -1.3680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0292   -2.2079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1574   -2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6702   -2.0354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5142   -2.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3346   -2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7529    2.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0384    2.9578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 20  1  0\n  2 13  2  0\n  3  5  1  0\n  3 11  1  0\n  3 13  1  0\n  4  6  1  0\n  4  9  1  0\n  4 14  1  0\n  5 10  2  0\n  6 17  2  0\n  7 14  2  0\n  7 17  1  0\n  8 13  1  0\n  8 21  1  0\n  9 10  1  0\n  9 11  2  0\n 10 12  1  0\n 12 15  2  0\n 12 16  1  0\n 15 18  1  0\n 16 19  2  0\n 18 20  2  0\n 19 20  1  0\n 21 22  1  0\nM  END\n> <chembl_id>\nCHEMBL1322146\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H13ClN6O/c1-2-17-14(22)20-7-12(21-9-16-8-18-21)13(19-20)10-3-5-11(15)6-4-10/h3-9H,2H2,1H3,(H,17,22)", "standard_inchi_key": "ONABGPXSDQTEKQ-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}