{"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":"CHEMBL6019933","molecule_hierarchy":{"active_chembl_id":"CHEMBL6019933","molecule_chembl_id":"CHEMBL6019933","parent_chembl_id":"CHEMBL6019933"},"molecule_properties":{"alogp":"4.52","aromatic_rings":6,"full_molformula":"C42H42N12O7","full_mwt":"826.87","hba":15,"hbd":4,"heavy_atoms":61,"mw_freebase":"826.87","np_likeness_score":"-0.43","num_ro5_violations":2,"psa":"227.02","qed_weighted":"0.08","ro3_pass":"N","rtb":12},"molecule_structures":{"canonical_smiles":"C=C1C[C@H]2C=Nc3cc(OCCCC(=O)Nc4cn(C)c(C(=O)Nc5cc(C(=O)Nc6cc(C(=O)n7ncc8cc(N)ccc87)n(C)c6)n(C)c5)n4)c(OC)cc3C(=O)N2C1","molfile":"BDBM304255\n RDKit 2D\n\n 61 68 0 0 0 0 0 0 0 0999 V2000\n -6.0095 6.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 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0 0 0 0 0 0 0 0\n -3.4944 36.1150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -3.4167 33.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.6281 32.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.1288 32.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.2414 29.1126 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8103 30.5006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0299 27.8366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.0751 22.1725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 4.3511 22.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.9630 20.6766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.1520 3.9056 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.9214 2.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3943 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2760 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.3943 -1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.8578 -2.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0323 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.0323 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -2.2841 1.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5718 0.8070 0.0000 O 0 0 0 0 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\nNone","standard_inchi":"InChI=1S/C42H42N12O7/c1-23-11-28-18-44-30-16-35(34(60-5)15-29(30)41(58)53(28)19-23)61-10-6-7-37(55)48-36-22-52(4)38(49-36)40(57)47-26-13-32(50(2)20-26)39(56)46-27-14-33(51(3)21-27)42(59)54-31-9-8-25(43)12-24(31)17-45-54/h8-9,12-18,20-22,28H,1,6-7,10-11,19,43H2,2-5H3,(H,46,56)(H,47,57)(H,48,55)/t28-/m0/s1","standard_inchi_key":"WADINQPENZTYJF-NDEPHWFRSA-N"},"molecule_synonyms":[],"molecule_type":null,"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}