{"atc_classifications": ["N03AB01"], "availability_type": 0, "biotherapeutic": null, "black_box_warning": 0, "chemical_probe": 0, "chirality": 0, "cross_references": [], "dosed_ingredient": true, "first_approval": 1957, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL1095", "molecule_hierarchy": {"active_chembl_id": "CHEMBL1095", "molecule_chembl_id": "CHEMBL1095", "parent_chembl_id": "CHEMBL1095"}, "molecule_properties": {"alogp": "1.30", "aromatic_rings": 1, "full_molformula": "C11H12N2O2", "full_mwt": "204.23", "hba": 2, "hbd": 1, "heavy_atoms": 15, "mw_freebase": "204.23", "np_likeness_score": "-0.67", "num_ro5_violations": 0, "psa": "49.41", "qed_weighted": "0.74", "ro3_pass": "Y", "rtb": 2}, "molecule_structures": {"canonical_smiles": "CCN1C(=O)NC(c2ccccc2)C1=O", "molfile": "\n     RDKit          2D\n\n 15 16  0  0  0  0  0  0  0  0999 V2000\n    6.0750   -4.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3042   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3667   -4.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7292   -5.6042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1542   -5.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9792   -5.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9542   -3.9375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5292   -5.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4917   -3.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9250   -5.1792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5292   -6.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2042   -3.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3042   -5.5292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9042   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3000   -6.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0\n  3  1  1  0\n  4  2  1  0\n  5  3  1  0\n  6  2  2  0\n  7  3  2  0\n  8  5  1  0\n  9  1  1  0\n 10  8  2  0\n 11  8  1  0\n 12  9  1  0\n 13 10  1  0\n 14 11  2  0\n 15 14  1  0\n  4  5  1  0\n 15 13  2  0\nM  END\n> <chembl_id>\nCHEMBL1095\n\n> <chembl_pref_name>\nETHOTOIN", "standard_inchi": "InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)", "standard_inchi_key": "SZQIFWWUIBRPBZ-UHFFFAOYSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Accenon", "syn_type": "OTHER", "synonyms": "ACCENON"}, {"molecule_synonym": "Ethotoin", "syn_type": "ATC", "synonyms": "ETHOTOIN"}, {"molecule_synonym": "Ethotoin", "syn_type": "FDA", "synonyms": "ETHOTOIN"}, {"molecule_synonym": "Ethotoin", "syn_type": "INN", "synonyms": "ETHOTOIN"}, {"molecule_synonym": "Ethotoine", "syn_type": "INN_FRENCH", "synonyms": "ETHOTOINE"}, {"molecule_synonym": "Etotoina", "syn_type": "INN_SPANISH", "synonyms": "ETOTOINA"}, {"molecule_synonym": "NSC-760074", "syn_type": "RESEARCH_CODE", "synonyms": "NSC-760074"}, {"molecule_synonym": "Peganone", "syn_type": "TRADE_NAME", "synonyms": "PEGANONE"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": true, "orphan": 0, "parenteral": false, "polymer_flag": 0, "pref_name": "ETHOTOIN", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": "-toin", "usan_stem_definition": "antiepileptics (hydantoin derivatives)", "usan_substem": "-toin", "usan_year": null, "veterinary": 0, "withdrawn_flag": false}