5282452 -OEChem-10051721293D 55 58 0 1 0 0 0 0 0999 V2000 -2.0596 4.5034 0.1857 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5758 -3.2836 0.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4477 -0.3948 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1769 0.1814 -2.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 1.2331 -0.6394 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6452 -1.5855 -0.3038 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 -3.2384 -0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5355 -4.1112 0.4003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8569 -4.3280 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -1.8151 -0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3641 -0.8334 -0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 0.4617 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 -0.3248 -0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1303 0.7435 0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0565 -1.1748 -0.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 1.5191 -0.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 -1.5624 0.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -1.9242 0.2429 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3994 -0.0442 0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5844 2.0472 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2246 -1.0012 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7289 -1.2852 0.9761 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8512 1.2518 0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9430 2.2992 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4072 2.2148 -1.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1858 1.8174 1.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 -1.1606 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5504 3.2259 -1.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7719 2.8285 1.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1399 3.5327 0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0104 0.2077 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -3.4264 -1.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7519 -4.8381 0.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5492 -3.7099 1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9589 -5.2025 -0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7458 -4.1027 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 -1.0940 -1.5986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4948 -1.6396 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 -1.8237 -0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -0.8474 0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9101 2.8954 0.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9577 -1.1200 2.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0178 0.0511 0.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9429 -2.2974 1.3364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 3.3077 0.6728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9130 1.4392 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8578 1.9868 -2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 1.2773 2.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8079 -1.9277 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3279 -1.3217 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 3.7742 -2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2317 3.0669 2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 -3.3896 1.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2229 0.5159 1.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0410 1.0752 -2.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 18 1 0 0 0 0 2 53 1 0 0 0 0 3 22 1 0 0 0 0 3 54 1 0 0 0 0 4 31 1 0 0 0 0 4 55 1 0 0 0 0 5 31 2 0 0 0 0 6 10 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 17 2 0 0 0 0 15 37 1 0 0 0 0 16 25 2 0 0 0 0 16 26 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 27 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 47 1 0 0 0 0 26 29 2 0 0 0 0 26 48 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 M END > DB08860 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VGYFMXBACGZSIL-MCBHFWOFSA-N/SDF?record_type=3d > O[C@H](C[C@H](O)\C=C\C1=C(C2=CC=C(F)C=C2)C2=CC=CC=C2N=C1C1CC1)CC(O)=O > InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1 > VGYFMXBACGZSIL-MCBHFWOFSA-N > C25H24FNO4 > 421.4608 > 421.168936466 > 5 > 55 > -0.9910737625602783 > 43.763317507151925 > 1 > 3 > 0 > 1 > (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid > 3.75 > 2.9240361675412205 > -5.03 > 1 > -1 > 4 > -1 > 14.64928752610674 > 4.127096472813344 > 4.857390763772056 > 90.65000000000002 > 115.73919999999997 > 8 > 1 > 3.94e-03 g/l > tetrahydrofolic acid > 0 $$$$