{"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": "CHEMBL3093865", "molecule_hierarchy": {"active_chembl_id": "CHEMBL3093865", "molecule_chembl_id": "CHEMBL3093865", "parent_chembl_id": "CHEMBL3093865"}, "molecule_properties": {"alogp": "4.28", "aromatic_rings": 3, "full_molformula": "C18H20N4OS", "full_mwt": "340.45", "hba": 4, "hbd": 1, "heavy_atoms": 24, "mw_freebase": "340.45", "np_likeness_score": "-2.07", "num_ro5_violations": 0, "psa": "50.16", "qed_weighted": "0.76", "ro3_pass": "N", "rtb": 2}, "molecule_structures": {"canonical_smiles": "Cc1csc(NC(=O)N2CCC(n3ccc4ccccc43)CC2)n1", "molfile": "\n     RDKit          2D\n\n 24 27  0  0  0  0  0  0  0  0999 V2000\n   -7.8284  -11.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.6134   -9.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -8.6493   -8.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.9376   -7.5093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.4777   -7.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.3902   -6.7589    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9504   -7.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.6687   -8.3492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.8628   -6.1485    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4233   -6.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.3384   -5.5341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6928   -4.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.1327   -3.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.2175   -4.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3114   -2.9665    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8032   -3.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4133   -1.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2990   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2615   -9.2646    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0\n  2  3  2  0\n  3  4  1  0\n  4  5  1  0\n  5  6  1  0\n  6  7  1  0\n  7  8  2  0\n  7  9  1  0\n  9 10  1  0\n 10 11  1  0\n 11 12  1  0\n 12 13  1  0\n 13 14  1  0\n 14  9  1  0\n 12 15  1  0\n 15 16  1  0\n 16 17  2  0\n 17 18  1  0\n 18 19  2  0\n 19 20  1  0\n 20 21  2  0\n 21 22  1  0\n 22 23  2  0\n 23 15  1  0\n 23 18  1  0\n  5 24  2  0\n 24  2  1  0\nM  END\n> <chembl_id>\nCHEMBL3093865\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H20N4OS/c1-13-12-24-17(19-13)20-18(23)21-9-7-15(8-10-21)22-11-6-14-4-2-3-5-16(14)22/h2-6,11-12,15H,7-10H2,1H3,(H,19,20,23)", "standard_inchi_key": "JMPQWEVNPCTAEW-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}