{"molecules": [{"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": "CHEMBL39878", "molecule_hierarchy": {"active_chembl_id": "CHEMBL39878", "molecule_chembl_id": "CHEMBL39878", "parent_chembl_id": "CHEMBL39878"}, "molecule_properties": {"alogp": "7.48", "aromatic_rings": 1, "full_molformula": "C26H37NO2", "full_mwt": "395.59", "hba": 2, "hbd": 2, "heavy_atoms": 29, "mw_freebase": "395.59", "np_likeness_score": "0.32", "num_ro5_violations": 1, "psa": "49.33", "qed_weighted": "0.18", "ro3_pass": "N", "rtb": 15}, "molecule_structures": {"canonical_smiles": "CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(=O)Nc1ccc(O)cc1", "molfile": "\n RDKit 2D\n\n 29 29 0 0 0 0 0 0 0 0999 V2000\n -2.8139 -19.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8151 -19.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1003 -20.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3838 -19.8435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3867 -19.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1021 -18.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5299 -20.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0422 -19.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7552 -18.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0454 -19.8326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4712 -19.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1841 -18.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9001 -18.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6130 -18.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6099 -17.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3228 -17.3415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3197 -16.5165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6037 -16.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.6006 -15.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8846 -14.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1717 -15.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4556 -14.8773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7427 -15.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7458 -16.1174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0329 -16.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0360 -17.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6769 -17.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.6738 -18.5978 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.3929 -17.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 13 14 2 0\n 2 7 1 0\n 14 15 1 0\n 5 28 1 0\n 15 16 1 0\n 3 4 2 0\n 16 17 2 0\n 28 8 1 0\n 17 18 1 0\n 18 19 1 0\n 8 9 1 0\n 19 20 2 0\n 4 5 1 0\n 20 21 1 0\n 8 10 2 0\n 21 22 1 0\n 2 3 1 0\n 22 23 2 0\n 9 11 1 0\n 23 24 1 0\n 5 6 2 0\n 24 25 1 0\n 11 12 1 0\n 25 26 1 0\n 6 1 1 0\n 26 27 1 0\n 12 13 1 0\n 1 2 2 0\n 27 29 1 0\nM END\n> \nCHEMBL39878\n\n> \nNone", "standard_inchi": "InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-", "standard_inchi_key": "IJBZOOZRAXHERC-DOFZRALJSA-N"}, "molecule_synonyms": [], "molecule_type": "Small molecule", "natural_product": 1, "oral": false, "orphan": -1, "parenteral": false, "polymer_flag": 0, "pref_name": null, "prodrug": -1, "score": 18.0, "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}], "page_meta": {"limit": 20, "next": null, "offset": 0, "previous": null, "total_count": 1}}