{"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": "CHEMBL68442", "molecule_hierarchy": {"active_chembl_id": "CHEMBL68442", "molecule_chembl_id": "CHEMBL68442", "parent_chembl_id": "CHEMBL68442"}, "molecule_properties": {"alogp": "2.71", "aromatic_rings": 3, "full_molformula": "C18H16N2O2", "full_mwt": "292.34", "hba": 2, "hbd": 2, "heavy_atoms": 22, "mw_freebase": "292.34", "np_likeness_score": "-0.51", "num_ro5_violations": 0, "psa": "61.96", "qed_weighted": "0.56", "ro3_pass": "N", "rtb": 5}, "molecule_structures": {"canonical_smiles": "O=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12", "molfile": "\n     RDKit          2D\n\n 22 24  0  0  0  0  0  0  0  0999 V2000\n   -1.9083    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9083    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4833    1.4083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.4333    0.0708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9583    0.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.9083    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.9583    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.6375    1.9833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.7500    0.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4833    1.6750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1000    1.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4833    1.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1042    1.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4833    0.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5250    1.9458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.2542    1.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5250    2.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9958    0.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.9958    0.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1000    2.0583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8292    1.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2542    1.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  2  0\n  3  1  1  0\n  4  2  1  0\n  5  1  1  0\n  6  3  1  0\n  7  5  2  0\n  8  3  2  0\n  9  6  2  0\n 10  6  1  0\n 11 10  1  0\n 12  5  1  0\n 13 15  1  0\n 14  7  1  0\n 15 11  1  0\n 16 13  2  0\n 17 13  1  0\n 18 12  2  0\n 19 18  1  0\n 20 17  2  0\n 21 16  1  0\n 22 20  1  0\n  7  4  1  0\n 14 19  2  0\n 21 22  2  0\nM  END\n> <chembl_id>\nCHEMBL68442\n\n> <chembl_pref_name>\nNone", "standard_inchi": "InChI=1S/C18H16N2O2/c21-17(15-12-20-16-9-5-4-8-14(15)16)18(22)19-11-10-13-6-2-1-3-7-13/h1-9,12,20H,10-11H2,(H,19,22)", "standard_inchi_key": "USGVPHMVQJFJJD-UHFFFAOYSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 1, "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}