{"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":"CHEMBL5653589","molecule_hierarchy":{"active_chembl_id":"CHEMBL5653589","molecule_chembl_id":"CHEMBL5653589","parent_chembl_id":"CHEMBL5653589"},"molecule_properties":{"alogp":"5.75","aromatic_rings":5,"full_molformula":"C26H20F3N7O","full_mwt":"503.49","hba":7,"hbd":2,"heavy_atoms":37,"mw_freebase":"503.49","np_likeness_score":"-2.06","num_ro5_violations":2,"psa":"97.62","qed_weighted":"0.32","ro3_pass":"N","rtb":5},"molecule_structures":{"canonical_smiles":"Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12","molfile":" \n RDKit 2D\n\n 37 41 0 0 0 0 0 0 0 0999 V2000\n -2.8572 2.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1426 2.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4307 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4307 1.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1409 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.8572 1.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -3.5718 1.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -2.1409 0.2061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7161 2.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7161 3.5061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n -0.0015 2.2683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7131 2.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.7133 3.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4262 3.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1410 3.5041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.1426 2.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 1.4308 2.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8573 2.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5718 2.6830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 2.8573 1.4452 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 3.5718 1.8578 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4262 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7114 0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0006 -0.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0006 -1.0315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7096 -1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4262 -1.0352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6125 0.3438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.5396 1.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.2786 1.0956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7096 -2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0049 -2.6813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.0041 -3.5041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n -0.7106 -3.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4225 -3.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n -1.4273 -2.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 0.6912 1.8102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 2 1 2 0\n 3 2 1 0\n 4 3 2 0\n 5 4 1 0\n 1 6 1 0\n 6 5 2 0\n 6 7 1 0\n 5 8 1 0\n 3 9 1 0\n 9 10 2 0\n 9 11 1 0\n 11 12 1 0\n 13 12 2 0\n 14 13 1 0\n 15 14 2 0\n 16 15 1 0\n 17 16 2 0\n 12 17 1 0\n 16 18 1 0\n 18 19 1 0\n 18 20 1 0\n 18 21 1 0\n 8 22 1 0\n 23 22 1 0\n 24 23 1 0\n 25 24 1 0\n 26 25 2 0\n 27 26 1 0\n 22 27 2 0\n 24 28 2 0\n 23 29 2 0\n 29 30 1 0\n 30 28 1 0\n 26 31 1 0\n 32 31 2 0\n 33 32 1 0\n 34 33 2 0\n 35 34 1 0\n 36 35 2 0\n 31 36 1 0\n 30 37 1 0\nM END\n> \nCHEMBL5653589\n\n> \nNone","standard_inchi":"InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)","standard_inchi_key":"MWKSRKSEWLRPBL-UHFFFAOYSA-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}