9935681 -OEChem-10051722523D 63 65 0 1 0 0 0 0 0999 V2000 -1.9774 2.7207 -1.5226 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3802 0.8501 1.2128 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3178 -2.3717 1.6973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 1.3286 -0.9819 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2177 0.6908 -0.5768 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0840 -1.9704 -0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2366 -3.7804 -1.2182 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1687 0.4803 -2.0419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -0.6527 -0.1275 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7232 -2.8301 0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 -1.9831 -0.6712 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3406 -2.2265 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1972 -1.1180 0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5225 -0.5400 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4142 -2.5575 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 -1.3523 1.2245 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8632 -1.9996 -0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2541 -0.7944 1.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5429 -1.1888 1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 0.6698 -0.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0822 0.5762 0.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -0.6315 1.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 1.2271 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0688 -2.6722 -0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4487 1.1712 0.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5389 0.4838 -0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6778 1.7796 -0.1575 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 1.2312 -0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 2.8370 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6057 1.8855 0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5324 -3.5645 0.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0332 2.2742 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0061 4.0538 0.1357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7367 3.1024 1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2982 0.6848 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9369 4.1865 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6601 -3.8432 -0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0981 -2.9709 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3723 -1.9089 -1.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6665 -3.2403 -1.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7487 -1.0951 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5843 -2.2590 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4985 -0.1102 2.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 -0.5695 0.8374 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6100 -1.1437 1.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 2.1675 -0.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3866 2.2661 0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 0.9059 1.4642 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9359 -2.4540 -0.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0411 0.9513 0.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4837 2.3240 -0.6315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -3.4053 -0.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7937 -4.3074 1.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 -3.9487 1.1685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5802 2.6983 0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1126 1.8024 0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7649 3.0875 -0.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3829 4.8976 -0.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4615 3.2053 2.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 1.0815 -1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3455 -0.4084 -1.7108 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7956 0.9456 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0387 5.1339 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 3 19 1 0 0 0 0 3 31 1 0 0 0 0 4 20 1 0 0 0 0 4 32 1 0 0 0 0 5 25 1 0 0 0 0 5 28 1 0 0 0 0 6 24 1 0 0 0 0 6 49 1 0 0 0 0 7 24 2 0 0 0 0 8 26 2 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 24 1 0 0 0 0 11 39 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 20 23 2 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 35 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 33 1 0 0 0 0 30 34 2 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 36 2 0 0 0 0 33 58 1 0 0 0 0 34 36 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 M END > DB12732 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YLFZHHDVRSYTKT-NRFANRHFSA-N/SDF?record_type=3d > CCOCC1=CC(OC)=C(C(OC)=C1)C1=CC=C(C[C@H](NC(=O)C2=C(F)C=CC=C2F)C(O)=O)C=C1 > InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1 > YLFZHHDVRSYTKT-NRFANRHFSA-N > C27H27F2NO6 > 499.511 > 499.180643919 > 6 > 63 > 51.21259431825675 > 1 > 2 > 0 > 0 > (2S)-2-[(2,6-difluorophenyl)formamido]-3-[4'-(ethoxymethyl)-2',6'-dimethoxy-[1,1'-biphenyl]-4-yl]propanoic acid > 4.11 > 4.600507488666667 > -5.78 > 1 > 3 > -1 > 11.895661668296102 > 3.4201499581502586 > -2.8766168160555714 > 94.09000000000002 > 130.0417 > 11 > 1 > 8.24e-04 g/l > firategrast > 0 $$$$