Mrv1572001261617032D 88 92 0 0 1 0 999 V2000 -0.1336 1.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8768 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -8.3748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0606 -7.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4898 -3.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4794 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 -3.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 -4.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9580 -1.0521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -5.9017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7276 -3.3032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9113 -3.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -2.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4182 -4.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 0.3105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -7.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -7.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 1.1355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -8.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -8.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 2.7855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -9.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -9.7393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 3.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7312 3.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -10.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5474 -10.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 0.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6803 -6.9945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1095 -3.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9258 -3.5653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -6.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0799 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2637 -7.5779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6929 -2.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5091 -4.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -1.7666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7293 -5.1872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0167 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -6.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 1.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -8.5018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2899 -0.7561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8939 -6.1976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3126 -3.1749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1289 -3.7789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3022 -1.3395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1184 -5.6143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9580 -2.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -4.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 -0.9270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -6.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5070 -0.9697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6907 -5.9841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0991 -2.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9153 -4.5758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 -3.1955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7293 -3.7583 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8733 -1.3395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3105 -5.6143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 2.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -9.3268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -2.4810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9668 -4.4728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5878 -0.1020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -6.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 -0.3863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 -6.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6825 -1.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4987 -5.1591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 4.0230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -10.9768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -1.7666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -5.1872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 -2.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1184 -4.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3705 -1.7666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -5.9017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 -0.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0970 -6.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 -3.9718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3424 -2.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0167 -1.7520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8329 -5.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 15 1 0 0 0 0 20 16 2 0 0 0 0 21 17 1 0 0 0 0 22 18 2 0 0 0 0 27 23 1 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 37 1 1 0 0 0 0 37 2 1 0 0 0 0 37 31 1 0 0 0 0 38 3 1 0 0 0 0 38 4 1 0 0 0 0 38 32 1 0 0 0 0 39 5 1 0 0 0 0 39 6 1 0 0 0 0 39 33 1 0 0 0 0 40 7 1 0 0 0 0 40 8 1 0 0 0 0 40 34 1 0 0 0 0 41 9 1 6 0 0 0 42 10 1 6 0 0 0 43 15 2 0 0 0 0 43 16 1 0 0 0 0 43 35 1 0 0 0 0 44 17 2 0 0 0 0 44 18 1 0 0 0 0 44 36 1 0 0 0 0 45 19 2 0 0 0 0 45 20 1 0 0 0 0 46 21 2 0 0 0 0 46 22 1 0 0 0 0 47 31 1 1 0 0 0 48 32 1 1 0 0 0 49 33 1 1 0 0 0 50 34 1 1 0 0 0 51 35 1 6 0 0 0 52 36 1 6 0 0 0 53 41 1 0 0 0 0 54 42 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 57 47 1 0 0 0 0 58 48 1 0 0 0 0 59 49 1 0 0 0 0 60 50 1 0 0 0 0 61 11 1 0 0 0 0 61 50 1 0 0 0 0 61 53 1 0 0 0 0 62 12 1 0 0 0 0 62 49 1 0 0 0 0 62 54 1 0 0 0 0 63 13 1 0 0 0 0 63 47 1 0 0 0 0 63 55 1 0 0 0 0 64 14 1 0 0 0 0 64 48 1 0 0 0 0 64 56 1 0 0 0 0 65 23 1 0 0 0 0 65 24 1 0 0 0 0 65 45 1 0 0 0 0 66 25 1 0 0 0 0 66 26 1 0 0 0 0 66 46 1 0 0 0 0 67 53 2 0 0 0 0 68 54 2 0 0 0 0 69 55 2 0 0 0 0 70 56 2 0 0 0 0 71 57 2 0 0 0 0 72 58 2 0 0 0 0 73 59 2 0 0 0 0 74 60 2 0 0 0 0 75 27 1 0 0 0 0 75 28 1 0 0 0 0 76 29 1 0 0 0 0 76 30 1 0 0 0 0 77 41 1 0 0 0 0 77 57 1 0 0 0 0 78 42 1 0 0 0 0 78 58 1 0 0 0 0 79 51 1 0 0 0 0 79 59 1 0 0 0 0 80 52 1 0 0 0 0 80 60 1 0 0 0 0 41 81 1 1 0 0 0 42 82 1 1 0 0 0 47 83 1 6 0 0 0 48 84 1 6 0 0 0 49 85 1 6 0 0 0 50 86 1 6 0 0 0 51 87 1 1 0 0 0 52 88 1 1 0 0 0 M END > DB11403 > drugbank > [H][C@]1(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(C)OC(=O)[C@]([H])(CC(C)C)N(C)C(=O)[C@@]([H])(CC2=CC=C(C=C2)N2CCOCC2)OC(=O)[C@]([H])(CC(C)C)N(C)C1=O > InChI=1S/C60H90N6O14/c1-37(2)31-47-57(71)77-41(9)53(67)61(11)50(34-40(7)8)60(74)80-52(36-44-17-21-46(22-18-44)66-25-29-76-30-26-66)56(70)64(14)48(32-38(3)4)58(72)78-42(10)54(68)62(12)49(33-39(5)6)59(73)79-51(55(69)63(47)13)35-43-15-19-45(20-16-43)65-23-27-75-28-24-65/h15-22,37-42,47-52H,23-36H2,1-14H3/t41-,42-,47+,48+,49+,50+,51-,52-/m1/s1 > ZMQMTKVVAMWKNY-YSXLEBCMSA-N > C60H90N6O14 > 1119.408 > 1118.651501602 > 12 > 170 > 123.40912857469601 > 0 > 0 > 0 > 0 > (3S,6R,9S,12R,15S,18R,21S,24R)-4,6,10,16,18,22-hexamethyl-3,9,15,21-tetrakis(2-methylpropyl)-12,24-bis({[4-(morpholin-4-yl)phenyl]methyl})-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclotetracosan-2,5,8,11,14,17,20,23-octone > 5.03 > 7.627374874666665 > -5.61 > 1 > 5 > 0 > 18.88609867232331 > 18.284038680995355 > 1.6254019712586099 > 211.3799999999999 > 301.10540000000003 > 14 > 0 > 2.77e-03 g/l > emodepside > 0 > DB11403 > investigational; vet_approved > Emodepside > Emodepsida; émodepside; Emodepside; Emodepsidum $$$$