9800765 -OEChem-12041918363D 52 55 0 1 0 0 0 0 0999 V2000 3.1148 -0.4199 2.2392 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.6803 -2.8180 0.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4758 2.4512 -1.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6329 -1.2030 -0.3229 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6098 0.8352 0.0298 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2757 3.1513 -1.2341 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5877 -0.9424 -1.2517 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4700 -2.6542 -0.2853 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0174 -0.7383 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6802 3.2632 0.2057 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3178 -3.2272 0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7973 -1.3949 0.7751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6834 2.1087 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6457 2.7240 -0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5866 -0.3644 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7119 4.0404 1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9397 1.3657 1.2365 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2865 1.8633 -1.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3925 1.7637 0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 0.0386 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 1.6339 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8531 0.3151 1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1997 0.8128 -1.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4302 -1.0506 -0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7841 -0.8214 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9902 -2.3303 -0.5007 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6975 -1.8715 -0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9039 -3.3802 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2575 -3.1508 -0.3466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -2.9614 -0.1044 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7915 -3.0717 -1.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4522 -1.0234 -1.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0938 0.3509 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9757 4.0045 -0.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2911 -4.3210 0.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9467 -2.9088 1.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4439 -1.0537 1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8589 -1.1409 0.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 4.9304 1.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 4.3688 1.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 3.4476 2.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4576 1.5497 2.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0703 2.4600 -1.9828 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1477 1.2453 1.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 0.6107 -2.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -0.4474 -1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7297 -1.8043 -1.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1441 0.1697 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9386 -2.5265 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7515 -1.6931 0.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5615 -4.3765 -0.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9688 -3.9683 -0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 3 6 1 0 0 0 0 3 21 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 15 1 0 0 0 0 5 15 2 0 0 0 0 5 21 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 7 46 1 0 0 0 0 7 47 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 42 1 0 0 0 0 18 23 2 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 28 2 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 M END > DB12571 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MYTIJGWONQOOLC-HNNXBMFYSA-N/SDF?record_type=3d > [H][C@@](C)(C1=NOC(NC(=N)N2CCOCC2)=C1)C1=CC=C(C(F)=C1)C1=CC=CC=C1 > InChI=1S/C22H23FN4O2/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-21(29-26-20)25-22(24)27-9-11-28-12-10-27/h2-8,13-15H,9-12H2,1H3,(H2,24,25)/t15-/m0/s1 > MYTIJGWONQOOLC-HNNXBMFYSA-N > C22H23FN4O2 > 394.45 > 394.18050416 > 5 > 52 > 42.39120073112788 > 1 > 2 > 0 > 1 > N-{3-[(1S)-1-{2-fluoro-[1,1'-biphenyl]-4-yl}ethyl]-1,2-oxazol-5-yl}morpholine-4-carboximidamide > 3.71 > 4.020783816333334 > -3.93 > 0 > 4 > 0 > 5.489101436074928 > 74.38000000000001 > 121.2714 > 4 > 1 > 4.62e-02 g/l > [(2R,3S,4R,5R)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonic acid > 0 $$$$