{"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": "CHEMBL1887373", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1887373", "molecule_chembl_id": "CHEMBL1887373", "parent_chembl_id": "CHEMBL1887373"}, "molecule_properties": {"alogp": "3.56", "aromatic_rings": 2, "full_molformula": "C17H15N3", "full_mwt": "261.33", "hba": 1, "hbd": 3, "heavy_atoms": 20, "mw_freebase": "261.33", "np_likeness_score": "-0.10", "num_ro5_violations": 0, "psa": "61.90", "qed_weighted": "0.57", "ro3_pass": "N", "rtb": 2}, "molecule_structures": {"canonical_smiles": "N=C(N)Nc1ccc(/C=C2\\C=Cc3ccccc32)cc1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n    2.3626    1.0507    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0036    1.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0655    2.4485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6300    2.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8454    2.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6300    3.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5905    1.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7835    1.5653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3605    3.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8454    3.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3445    2.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3445    4.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1695    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5286    0.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2315    2.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7216    0.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4245    2.0069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0590    2.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0590    3.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8105    1.6638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1 13  1  0\n  1 20  1  0\n  2 20  2  0\n 20  3  1  0\n  4  5  1  0\n  4  6  2  0\n  4 11  1  0\n  5  7  2  0\n  5  9  1  0\n  6 10  1  0\n  6 12  1  0\n  7  8  1  0\n  8 14  2  0\n  8 15  1  0\n  9 10  2  0\n 11 18  2  0\n 12 19  2  0\n 13 16  2  0\n 13 17  1  0\n 14 16  1  0\n 15 17  2  0\n 18 19  1  0\nM  END\n> <chembl_id>\nCHEMBL1887373\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C17H15N3/c18-17(19)20-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,(H4,18,19,20)/b14-11+", "standard_inchi_key": "BOGIJBDMOQJRFY-SDNWHVSQSA-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}