{"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":"CHEMBL3668200","molecule_hierarchy":{"active_chembl_id":"CHEMBL3668200","molecule_chembl_id":"CHEMBL3668200","parent_chembl_id":"CHEMBL3668200"},"molecule_properties":{"alogp":"3.30","aromatic_rings":6,"full_molformula":"C24H18F2N10O","full_mwt":"500.47","hba":11,"hbd":1,"heavy_atoms":37,"mw_freebase":"500.47","np_likeness_score":"-2.21","num_ro5_violations":2,"psa":"120.83","qed_weighted":"0.34","ro3_pass":"N","rtb":8},"molecule_structures":{"canonical_smiles":"Fc1cc(F)cc(-c2ccc3nnc(CNc4ccnc5cc(OCCn6cncn6)cnc45)n3n2)c1","molfile":"\n RDKit 2D\n\n 37 42 0 0 0 0 0 0 0 0999 V2000\n 7.5959 5.7245 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4004 4.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.8671 5.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 10.8727 4.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 12.0461 4.2871 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 10.4117 2.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.9450 2.2936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.9394 3.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 8.4815 0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.4854 -0.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 9.0221 -1.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 7.5549 -1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.8057 -3.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.3385 -2.9740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 5.2003 -1.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.8990 -0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.6003 -1.4977 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8963 -3.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -3.8941 -5.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1923 -6.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.1902 -7.5079 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -6.4007 -8.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -5.9322 -9.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -4.4322 -9.7916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.9737 -8.3634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -1.2990 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 6.5510 -0.8725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 7.0143 0.5542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 1 2 1 0\n 2 3 2 0\n 3 4 1 0\n 4 5 1 0\n 4 6 2 0\n 6 7 1 0\n 7 8 2 0\n 8 2 1 0\n 7 9 1 0\n 9 10 1 0\n 10 11 2 0\n 11 12 1 0\n 12 13 2 0\n 13 14 1 0\n 14 15 2 0\n 15 16 1 0\n 16 17 1 0\n 17 18 1 0\n 18 19 2 0\n 19 20 1 0\n 20 21 2 0\n 21 22 1 0\n 22 23 2 0\n 23 24 1 0\n 24 25 1 0\n 25 26 1 0\n 26 27 1 0\n 27 28 1 0\n 28 29 1 0\n 29 30 2 0\n 30 31 1 0\n 31 32 2 0\n 32 28 1 0\n 24 33 2 0\n 33 34 1 0\n 34 35 2 0\n 35 18 1 0\n 35 22 1 0\n 15 36 1 0\n 36 12 1 0\n 36 37 1 0\n 37 9 2 0\nM END\n> \nCHEMBL3668200\n\n> \nNone","standard_inchi":"InChI=1S/C24H18F2N10O/c25-16-7-15(8-17(26)9-16)19-1-2-22-32-33-23(36(22)34-19)12-29-20-3-4-28-21-10-18(11-30-24(20)21)37-6-5-35-14-27-13-31-35/h1-4,7-11,13-14H,5-6,12H2,(H,28,29)","standard_inchi_key":"YWAKXUWRHLXYJM-UHFFFAOYSA-N"},"molecule_synonyms":[],"molecule_type":"Small molecule","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}