11476460 -OEChem-10051722013D 47 50 0 1 0 0 0 0 0999 V2000 8.0409 -1.7054 0.2703 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 1.4715 1.9281 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2147 1.5948 0.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2073 -0.3892 -0.1706 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 2.0635 1.7276 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9278 -2.6797 -1.0154 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -2.4048 1.3538 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4367 -1.4392 0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 1.0403 -0.3476 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4051 -1.0908 0.3401 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.1284 -1.5139 0.4238 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4325 -1.2522 0.2568 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5527 0.5134 -0.4915 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7306 -0.0619 -0.2821 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3117 0.8136 -0.9879 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8932 0.7539 -1.5125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8801 -0.5549 -0.6385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6876 0.8576 -0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 1.5973 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9540 1.2581 0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0251 0.2773 -1.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0851 0.5005 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 1.0801 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3579 0.0991 -1.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 0.3141 -0.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3781 1.3005 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0756 -0.8524 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7523 1.0922 -0.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2111 -0.1096 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6188 -0.3793 -0.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4538 -2.1943 0.6338 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9769 1.3324 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7155 1.5480 -2.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6652 -0.2195 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 -1.1986 -1.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2858 -1.0310 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3986 1.7120 1.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5469 -0.0424 -2.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8542 -0.3526 -2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9934 2.2354 -1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4584 -1.6611 0.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4193 1.8652 -1.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4203 -3.5279 -1.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3880 -3.1892 1.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7786 -2.7214 -0.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0429 -2.9003 1.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2886 -1.6488 1.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 23 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 17 1 0 0 0 0 5 19 2 0 0 0 0 6 43 1 0 0 0 0 7 44 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 27 1 0 0 0 0 10 29 2 0 0 0 0 11 12 1 0 0 0 0 11 30 2 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 23 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 27 2 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 29 1 0 0 0 0 28 42 1 0 0 0 0 29 30 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 M END > DB09042 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCGUSIANLFXSGE-GFCCVEGCSA-N/SDF?record_type=3d > CN1N=NC(=N1)C1=CC=C(C=N1)C1=CC=C(C=C1F)N1C[C@H](COP(O)(O)=O)OC1=O > InChI=1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1 > QCGUSIANLFXSGE-GFCCVEGCSA-N > C17H16FN6O6P > 450.323 > 450.08529742 > 9 > 47 > 41.46359679169101 > 1 > 2 > 0 > 1 > {[(5R)-3-{3-fluoro-4-[6-(2-methyl-2H-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methoxy}phosphonic acid > 0.82 > 1.9684143536666665 > -2.87 > 1 > 4 > -2 > 6.370879648072013 > 1.3456748084071446 > -1.5758292426978868 > 152.79 > 125.92879999999998 > 6 > 1 > 6.08e-01 g/l > [(5R)-3-{3-fluoro-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methoxyphosphonic acid > 0 $$$$