{"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": "CHEMBL3301939", "molecule_hierarchy": null, "molecule_properties": {"alogp": "1.81", "aromatic_rings": 1, "full_molformula": "C13H17N3", "full_mwt": "215.30", "hba": 3, "hbd": 1, "heavy_atoms": 16, "mw_freebase": "215.30", "np_likeness_score": "0.13", "num_ro5_violations": 0, "psa": "37.28", "qed_weighted": "0.78", "ro3_pass": "Y", "rtb": 1}, "molecule_structures": {"canonical_smiles": "Cc1cnc2c(c1)CCCC2C1=NCCN1", "molfile": "\n     RDKit          2D\n\n 16 18  0  0  0  0  0  0  0  0999 V2000\n    6.8728   -8.1255    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.8710   -6.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1581   -7.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1623   -6.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4520   -6.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7330   -6.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7289   -7.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4437   -8.1249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5862   -6.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5850   -7.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2998   -6.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4446   -8.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7747   -9.4287    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0268  -10.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8527  -10.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1082   -9.4314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  3  1  1  0\n  1 10  2  0\n  9  2  2  0\n  2  4  1  0\n  3  4  2  0\n  3  8  1  0\n  4  5  1  0\n  5  6  1  0\n  6  7  1  0\n  7  8  1  0\n  9 10  1  0\n  9 11  1  0\n 13 14  1  0\n 12 13  2  0\n 14 15  1  0\n 15 16  1  0\n 16 12  1  0\n  8 12  1  0\nM  END\n> <chembl_id>\nCHEMBL3301939\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C13H17N3/c1-9-7-10-3-2-4-11(12(10)16-8-9)13-14-5-6-15-13/h7-8,11H,2-6H2,1H3,(H,14,15)", "standard_inchi_key": "KCUJXSAYHPYVMM-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}