Mrv2304 10032322552D 64 69 0 0 1 0 999 V2000 0.1398 -2.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 -3.1745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8974 -2.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -3.1745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3264 -2.7620 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0408 -3.1745 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7553 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1842 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -3.9995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6132 -2.7620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3277 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0421 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0421 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7566 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4711 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7566 -3.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1855 -1.5245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1855 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6145 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6145 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9000 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3290 -0.2870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7579 -0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4724 -0.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4724 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1868 -1.9370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1868 -2.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1868 -3.5870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.0118 -2.7620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.3618 -2.7620 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.7579 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0434 -1.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3264 -1.9370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -1.5245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0408 -1.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6119 -3.9995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3470 -3.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -4.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1994 -5.2690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0244 -5.2690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5093 -5.9365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2793 -4.4844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0640 -4.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.9365 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 -6.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5651 -7.3576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2554 -7.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7403 -7.9388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5909 -6.5177 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 -5.8502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 -5.0966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0967 -3.9950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7103 -4.1665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0458 -4.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8663 -5.0064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1228 -3.4520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9432 -3.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5707 -2.8389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7423 -2.0320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 6 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 14 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 30 36 1 0 0 0 0 36 37 2 0 0 0 0 27 37 1 0 0 0 0 5 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 2 0 0 0 0 4 41 1 0 0 0 0 41 42 1 1 0 0 0 41 43 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 45 46 1 1 0 0 0 47 45 1 0 0 0 0 41 47 1 6 0 0 0 47 48 1 1 0 0 0 44 49 1 6 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 49 55 1 0 0 0 0 55 56 2 0 0 0 0 2 57 1 0 0 0 0 58 57 1 0 0 0 0 58 59 1 6 0 0 0 59 60 1 0 0 0 0 61 58 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 0 0 0 0 63 2 1 0 0 0 0 63 64 1 1 0 0 0 M END > DB18603 > drugbank > [H][C@@]1(O[C@@H]([C@H](NCCCC(=O)NCC2=CC=C(C=C2)N2CCC(CC2)OC2=CC=C(OC(F)(F)F)C=C2)C(N)=O)[C@@]2([H])O[C@H]([C@H](O)[C@@H]2O)N2C=CC(=O)NC2=O)O[C@H](CN)[C@@H](O)[C@H]1O > InChI=1S/C39H50F3N7O13/c40-39(41,42)62-24-9-7-22(8-10-24)58-23-11-15-48(16-12-23)21-5-3-20(4-6-21)19-46-26(50)2-1-14-45-28(35(44)56)33(61-37-32(55)29(52)25(18-43)59-37)34-30(53)31(54)36(60-34)49-17-13-27(51)47-38(49)57/h3-10,13,17,23,25,28-34,36-37,45,52-55H,1-2,11-12,14-16,18-19,43H2,(H2,44,56)(H,46,50)(H,47,51,57)/t25-,28+,29-,30-,31-,32+,33+,34-,36-,37+/m1/s1 > XXRKRPJUCVNNCH-AMFJOBICSA-N > C39H50F3N7O13 > 881.86 > 881.341869187 > 16 > 112 > 4.856455545311466 > 85.99605622172857 > 0 > 9 > 0 > 0 > 4-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carbamoyl-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}-N-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenyl)methyl]butanamide > -1.1789778978432552 > 1 > 2 > 6 > 2 > 12.179586182537966 > 9.293918651245601 > 8.625507654592534 > 289.96000000000004 > 203.07420000000008 > 19 > 0 > 4-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carbamoyl-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}-N-[(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenyl)methyl]butanamide > 0 > DB18603 > investigational > APPD > AMINOURIDYL PHENOXYPIPERIDINBENZYL BUTAMIDE; D-GLYCERO-.ALPHA.-L-TALO-HEPTOFURANURONAMIDE, 5-O-(5-AMINO-5-DEOXY-.BETA.-D-RIBOFURANOSYL)-1,6-DIDEOXY-1-(3,4-DIHYDRO-2,4-DIOXO-1(2H)-PYRIMIDINYL)-6-((4-OXO-4-(((4-(4-(4-(TRIFLUOROMETHOXY)PHENOXY)-1-PIPERIDINYL)PHENYL)METHYL)AMINO)BUTYL)AMINO)- $$$$