{"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": "CHEMBL2018907", "molecule_hierarchy": {"active_chembl_id": "CHEMBL2018907", "molecule_chembl_id": "CHEMBL2018907", "parent_chembl_id": "CHEMBL2018907"}, "molecule_properties": {"alogp": "4.24", "aromatic_rings": 2, "full_molformula": "C14H20N2OS", "full_mwt": "264.39", "hba": 3, "hbd": 1, "heavy_atoms": 18, "mw_freebase": "264.39", "np_likeness_score": "-1.40", "num_ro5_violations": 0, "psa": "37.91", "qed_weighted": "0.60", "ro3_pass": "N", "rtb": 7}, "molecule_structures": {"canonical_smiles": "CCCCCCSc1nc2cc(OC)ccc2[nH]1", "molfile": "\n     RDKit          2D\n\n 18 19  0  0  0  0  0  0  0  0999 V2000\n    7.2471   -6.8361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7318   -6.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2471   -5.4969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4624   -5.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7424   -5.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0265   -5.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0265   -6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7424   -6.9957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4624   -6.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5568   -6.1665    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9693   -5.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7943   -5.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3085   -5.3405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5948   -5.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2068   -4.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0318   -4.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4443   -4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.2693   -4.0231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  9  1  0\n  4  9  2  0\n  2 10  1  0\n  1  2  1  0\n 10 11  1  0\n  2  3  2  0\n 11 12  1  0\n  3  4  1  0\n  4  5  1  0\n 13 14  1  0\n  6 13  1  0\n  5  6  2  0\n 12 15  1  0\n  6  7  1  0\n 15 16  1  0\n  7  8  2  0\n 16 17  1  0\n  8  9  1  0\n 17 18  1  0\nM  END\n> <chembl_id>\nCHEMBL2018907\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C14H20N2OS/c1-3-4-5-6-9-18-14-15-12-8-7-11(17-2)10-13(12)16-14/h7-8,10H,3-6,9H2,1-2H3,(H,15,16)", "standard_inchi_key": "VXHDUQXXAHZWMP-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}