{"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":"CHEMBL4761506","molecule_hierarchy":{"active_chembl_id":"CHEMBL4761506","molecule_chembl_id":"CHEMBL4761506","parent_chembl_id":"CHEMBL4761506"},"molecule_properties":{"alogp":"2.35","aromatic_rings":3,"full_molformula":"C20H24ClFN4O9P2","full_mwt":"580.83","hba":10,"hbd":6,"heavy_atoms":37,"mw_freebase":"580.83","np_likeness_score":"-0.36","num_ro5_violations":2,"psa":"196.49","qed_weighted":"0.16","ro3_pass":"N","rtb":9},"molecule_structures":{"canonical_smiles":"C[C@H](Nc1cc(Cl)nc2c1cnn2[C@@H]1O[C@H](COP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O)c1ccc(F)cc1","molfile":" \n RDKit 2D\n\n 37 40 0 0 0 0 0 0 0 0999 V2000\n 22.0361 -17.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.3285 -17.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 19.9213 -16.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2515 -16.8374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5416 -14.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.5239 -16.4246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.7486 -17.2450 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 19.1977 -17.2622 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7679 -13.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7893 -15.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 18.7776 -17.9816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 24.5394 -13.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 21.2598 -16.0249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 21.8258 -14.2866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 20.5935 -17.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 17.0291 -16.8243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3267 -15.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 22.0723 -15.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.4777 -16.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0553 -13.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 18.1596 -17.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 22.3349 -13.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 23.0534 -14.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 19.6128 -17.9856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.2912 -15.1970 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0\n 23.7679 -12.6051 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4820 -12.1928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 22.2898 -17.8779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 23.3483 -16.4323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n 25.1960 -12.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 24.4820 -11.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.1938 -13.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9071 -13.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6221 -13.4301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 26.6195 -12.6014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 25.9057 -12.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n 27.3366 -13.8414 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0\n 9 12 2 0\n 17 14 1 0\n 13 4 1 0\n 20 22 1 0\n 15 3 1 0\n 7 21 1 0\n 23 20 2 0\n 19 7 1 0\n 23 10 1 0\n 4 15 1 1\n 2 7 1 0\n 1 4 1 0\n 18 13 1 0\n 20 9 1 0\n 18 17 1 1\n 7 16 2 0\n 8 19 1 0\n 10 5 2 0\n 14 22 2 0\n 17 23 1 0\n 8 24 2 0\n 3 8 1 0\n 5 12 1 0\n 6 1 1 0\n 6 18 1 0\n 11 8 1 0\n 5 25 1 0\n 9 26 1 0\n 26 27 1 0\n 1 28 1 6\n 6 29 1 6\n 27 30 1 0\n 27 31 1 1\n 30 32 2 0\n 32 33 1 0\n 33 34 2 0\n 34 35 1 0\n 35 36 2 0\n 36 30 1 0\n 34 37 1 0\nM END\n> \nCHEMBL4761506\n\n> \nNone","standard_inchi":"InChI=1S/C20H24ClFN4O9P2/c1-10(11-2-4-12(22)5-3-11)24-14-6-16(21)25-19-13(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1","standard_inchi_key":"ZOJVDXWVVGFWSE-KCVUFLITSA-N"},"molecule_synonyms":[],"molecule_type":"Unknown","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}