{"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": "CHEMBL1602694", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1602694", "molecule_chembl_id": "CHEMBL1602694", "parent_chembl_id": "CHEMBL1602694"}, "molecule_properties": {"alogp": "2.91", "aromatic_rings": 2, "full_molformula": "C15H19N3OS", "full_mwt": "289.40", "hba": 3, "hbd": 1, "heavy_atoms": 20, "mw_freebase": "289.40", "np_likeness_score": "-2.15", "num_ro5_violations": 0, "psa": "48.99", "qed_weighted": "0.88", "ro3_pass": "Y", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1", "molfile": "\n     RDKit          2D\n\n 20 22  0  0  0  0  0  0  0  0999 V2000\n    2.0770   -1.7677    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4270   -1.7677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3869   -2.4352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3869   -1.1003    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4270   -0.3388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1715   -2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1715   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9020   -1.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8860   -2.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8860   -0.9427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8395   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6645   -1.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6005   -2.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6005   -1.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3980   -0.3388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8395    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3980    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8105    0.3757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4270    1.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.8105    1.8046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  8  1  0\n  1 12  1  0\n  2 11  2  0\n  3  6  1  0\n  3  8  2  0\n  4  7  1  0\n  4  8  1  0\n  5 11  1  0\n  5 15  1  0\n  5 16  1  0\n  6  7  1  0\n  6  9  2  0\n  7 10  2  0\n  9 13  1  0\n 10 14  1  0\n 11 12  1  0\n 13 14  2  0\n 15 18  1  0\n 16 19  1  0\n 17 18  1  0\n 17 19  1  0\n 17 20  1  0\nM  END\n> <chembl_id>\nCHEMBL1602694\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C15H19N3OS/c1-11-6-8-18(9-7-11)14(19)10-20-15-16-12-4-2-3-5-13(12)17-15/h2-5,11H,6-10H2,1H3,(H,16,17)", "standard_inchi_key": "DLBLZDXRCLOKSG-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}