71577426 -OEChem-05201911023D 64 67 0 0 0 0 0 0 0999 V2000 5.0159 3.2809 0.1901 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8300 -2.6460 1.9326 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7001 -3.6263 3.6812 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.2087 -1.5428 3.2616 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.0499 -3.1966 1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9620 0.2988 -2.6428 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2291 -1.3605 0.8030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2444 4.4554 0.0958 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3822 2.4659 1.9878 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5231 1.8681 -0.9832 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 3.6821 -0.0026 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 1.3326 1.5336 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7348 0.7651 -0.0871 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9284 -3.2005 0.0278 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0321 4.5732 0.5033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 5.4440 0.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0276 5.0704 -0.5434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 4.9481 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1826 4.1825 -0.6916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 3.5500 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 3.1454 -1.6026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3046 2.3584 -1.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 2.6608 -0.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9107 1.6174 0.5952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1385 0.1939 -1.6118 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1296 -1.2461 -1.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7474 0.7694 -1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0943 -1.5586 0.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1561 -2.2673 -2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9076 -1.2049 -0.9201 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 -0.6458 0.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0855 -2.8922 0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -3.6008 -1.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -3.9133 -0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0347 -2.7045 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2487 -3.4875 -1.6872 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -4.8683 -1.6036 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0371 -4.5470 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2980 -5.4162 -0.7053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9428 -2.7372 2.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 4.5416 1.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3079 3.5404 0.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7704 5.4783 -0.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0055 6.4727 0.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3101 6.0783 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5222 5.1730 -1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1452 5.6422 1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8266 4.9712 2.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 2.9433 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2574 1.5586 -2.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6786 0.2904 -2.5627 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7162 0.7885 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2686 2.1476 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3314 1.2232 -0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0785 -0.7612 0.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1819 -2.0369 -3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8743 -0.7515 -0.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6637 -0.8885 -1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1669 -4.3959 -2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1046 -4.9539 -0.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 -3.0505 -2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7906 -5.5164 -2.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 -4.9238 0.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4239 -6.4897 -0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 24 1 0 0 0 0 2 40 1 0 0 0 0 3 40 1 0 0 0 0 4 40 1 0 0 0 0 5 32 1 0 0 0 0 5 40 1 0 0 0 0 6 27 2 0 0 0 0 7 31 2 0 0 0 0 8 11 1 0 0 0 0 8 19 2 0 0 0 0 9 12 1 0 0 0 0 9 20 2 0 0 0 0 10 23 1 0 0 0 0 10 27 1 0 0 0 0 10 53 1 0 0 0 0 11 23 2 0 0 0 0 12 24 2 0 0 0 0 13 24 1 0 0 0 0 13 31 1 0 0 0 0 13 54 1 0 0 0 0 14 35 1 0 0 0 0 14 38 2 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 19 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 33 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 37 39 2 0 0 0 0 37 62 1 0 0 0 0 38 39 1 0 0 0 0 38 63 1 0 0 0 0 39 64 1 0 0 0 0 M END > DB15232 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/PRAAPINBUWJLGA-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)OC1=CC(CC(=O)NC2=NN=C(CCCCC3=NN=C(NC(=O)CC4=NC=CC=C4)S3)C=C2)=CC=C1 > InChI=1S/C26H24F3N7O3S/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38) > PRAAPINBUWJLGA-UHFFFAOYSA-N > C26H24F3N7O3S > 571.58 > 571.161343324 > 8 > 64 > 55.53290017355736 > 0 > 2 > 0 > 0 > N-[6-(4-{5-[2-(pyridin-2-yl)acetamido]-1,3,4-thiadiazol-2-yl}butyl)pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide > 3.73 > 4.737973421333333 > -5.58 > 1 > 4 > -1 > 11.297347528940431 > 6.940304014911135 > 4.327992159114934 > 131.88 > 141.13539999999995 > 13 > 0 > 1.51e-03 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$