150311 -OEChem-03022011293D 51 54 0 1 0 0 0 0 0999 V2000 -7.0846 -1.4757 1.9034 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9957 0.9111 0.9707 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0406 -2.3232 -2.4107 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 -2.6239 0.9142 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 5.6215 -0.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2134 -0.8071 -0.6152 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2925 -0.7954 -1.3532 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0254 -0.0622 -0.2200 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8234 -1.7590 -0.9663 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -1.4853 -1.6384 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 1.4692 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1102 -0.9851 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 -0.9732 0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2764 -1.8877 -0.2472 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8211 2.2244 0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5786 2.1334 -1.3975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3081 -1.9903 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8097 -0.1295 1.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5452 -1.1354 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 3.6149 0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6869 3.5240 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 4.2647 -0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5379 -2.1594 0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0395 -0.2985 1.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4664 -0.8907 -0.9247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -0.7053 1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 -1.3133 1.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6375 -0.1961 -0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9332 -0.0107 1.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8709 0.2438 0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.1621 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6891 -0.4249 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0072 -2.4575 -1.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5278 -2.3600 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3988 -0.4020 -1.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9055 -0.2572 0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4756 -2.6257 -1.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 1.7316 1.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8393 1.5755 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0666 -2.6756 -1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1640 0.6641 1.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 4.1804 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0254 4.0245 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5982 -3.2572 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2110 -2.9499 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3239 0.3581 2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2919 -1.2279 -1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0413 -0.8754 2.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3677 0.0029 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1139 0.3354 2.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 5.9701 0.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 30 1 0 0 0 0 3 10 2 0 0 0 0 4 14 1 0 0 0 0 4 44 1 0 0 0 0 5 22 1 0 0 0 0 5 51 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 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 31 1 0 0 0 0 8 11 1 0 0 0 0 8 32 1 0 0 0 0 9 12 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 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 14 37 1 0 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 21 2 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 24 2 0 0 0 0 18 41 1 0 0 0 0 19 25 2 0 0 0 0 19 26 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 23 27 2 0 0 0 0 23 45 1 0 0 0 0 24 27 1 0 0 0 0 24 46 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 28 30 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 M END > DB00973 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OLNTVTPDXPETLC-XPWALMASSA-N/SDF?record_type=3d > [H][C@]1(CC[C@H](O)C2=CC=C(F)C=C2)C(=O)N(C2=CC=C(F)C=C2)[C@]1([H])C1=CC=C(O)C=C1 > InChI=1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1 > OLNTVTPDXPETLC-XPWALMASSA-N > C24H21F2NO3 > 409.4252 > 409.148949953 > 3 > 51 > 0.0009901575067192748 > 41.65106612458223 > 1 > 2 > 0 > 1 > (3R,4S)-1-(4-fluorophenyl)-3-[(3S)-3-(4-fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one > 4.14 > 4.559127928333334 > -4.68 > 1 > 0 > 4 > 0 > 14.443302513576896 > 9.484298994388533 > -3.0422882951353873 > 60.77 > 108.86170000000003 > 6 > 1 > 8.46e-03 g/l > ezetimibe > 0 $$$$