{"molecules": [{"atc_classifications": ["N06AA09"], "availability_type": 1, "biotherapeutic": null, "black_box_warning": 1, "chemical_probe": 0, "chirality": 2, "cross_references": [], "dosed_ingredient": false, "first_approval": 1961, "first_in_class": 0, "helm_notation": null, "inorganic_flag": 0, "max_phase": "4.0", "molecule_chembl_id": "CHEMBL629", "molecule_hierarchy": {"active_chembl_id": "CHEMBL629", "molecule_chembl_id": "CHEMBL629", "parent_chembl_id": "CHEMBL629"}, "molecule_properties": {"alogp": "4.17", "aromatic_rings": 2, "full_molformula": "C20H23N", "full_mwt": "277.41", "hba": 1, "hbd": 0, "heavy_atoms": 21, "mw_freebase": "277.41", "np_likeness_score": "-0.11", "num_ro5_violations": 0, "psa": "3.24", "qed_weighted": "0.81", "ro3_pass": "N", "rtb": 3}, "molecule_structures": {"canonical_smiles": "CN(C)CCC=C1c2ccccc2CCc2ccccc21", "molfile": "\n RDKit 2D\n\n 21 23 0 0 0 0 0 0 0 0999 V2000\n 5.5292 -5.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.8792 -5.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1667 -5.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.5292 -4.4292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.7125 -6.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.3042 -6.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.1417 -6.6875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 5.8542 -6.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.7875 -3.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1500 -4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.6792 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3625 -4.9417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.1667 -3.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.9917 -6.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.0250 -6.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8000 -2.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3917 -3.3875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.3625 -5.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6792 -5.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5125 -5.8417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5042 -5.8917 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 1 2 0\n 5 2 2 0\n 6 3 1 0\n 7 5 1 0\n 8 6 1 0\n 9 13 1 0\n 10 4 1 0\n 11 3 2 0\n 12 2 1 0\n 13 10 1 0\n 14 6 2 0\n 15 5 1 0\n 16 9 1 0\n 17 9 1 0\n 18 11 1 0\n 19 12 2 0\n 20 19 1 0\n 21 18 2 0\n 8 7 1 0\n 21 14 1 0\n 20 15 2 0\nM END\n> \nCHEMBL629\n\n> \nAMITRIPTYLINE", "standard_inchi": "InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3", "standard_inchi_key": "KRMDCWKBEZIMAB-UHFFFAOYSA-N"}, "molecule_synonyms": [{"molecule_synonym": "Amitriptilina", "syn_type": "INN_SPANISH", "synonyms": "AMITRIPTILINA"}, {"molecule_synonym": "Amitriptyline", "syn_type": "ATC", "synonyms": "AMITRIPTYLINE"}, {"molecule_synonym": "Amitriptyline", "syn_type": "INN", "synonyms": "AMITRIPTYLINE"}, {"molecule_synonym": "Amitriptyline", "syn_type": "MERCK_INDEX", "synonyms": "AMITRIPTYLINE"}, {"molecule_synonym": "Amitriptyline", "syn_type": "OTHER", "synonyms": "AMITRIPTYLINE"}, {"molecule_synonym": "Amitriptyline", "syn_type": "USP", "synonyms": "AMITRIPTYLINE"}, {"molecule_synonym": "Damitriptyline", "syn_type": "OTHER", "synonyms": "DAMITRIPTYLINE"}, {"molecule_synonym": "Flavyl", "syn_type": "OTHER", "synonyms": "FLAVYL"}, {"molecule_synonym": "Laroxyl", "syn_type": "OTHER", "synonyms": "LAROXYL"}, {"molecule_synonym": "Proheptadiene", "syn_type": "OTHER", "synonyms": "PROHEPTADIENE"}, {"molecule_synonym": "Seroten", "syn_type": "OTHER", "synonyms": "SEROTEN"}, {"molecule_synonym": "Triptanol", "syn_type": "OTHER", "synonyms": "TRIPTANOL"}], "molecule_type": "Small molecule", "natural_product": 1, "oral": true, "orphan": 0, "parenteral": true, "polymer_flag": 0, "pref_name": "AMITRIPTYLINE", "prodrug": 0, "structure_type": "MOL", "therapeutic_flag": true, "topical": false, "usan_stem": "-triptyline", "usan_stem_definition": "antidepressants (dibenzol[a,d]cycloheptane derivatives)", "usan_substem": "-triptyline", "usan_year": null, "veterinary": 0, "withdrawn_flag": false}], "page_meta": {"limit": 20, "next": null, "offset": 0, "previous": null, "total_count": 1}}