164908 -OEChem-11151914313D 68 72 0 1 0 0 0 0 0999 V2000 -0.3519 1.6897 1.7658 P 0 0 2 0 0 0 0 0 0 0 0 0 3.1320 3.1168 -1.7981 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4178 0.3458 2.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6861 -1.4728 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3508 0.4688 0.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0696 2.7902 -0.2185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2094 2.0770 1.9569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0731 1.6712 -1.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7655 2.3343 0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6599 -3.4383 -1.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7304 0.9888 3.1748 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 2.8427 1.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 2.1027 -2.4113 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 4.5616 -1.9227 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 -1.4978 -0.2834 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 3.0208 -2.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2853 -4.9577 -0.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7374 -0.6594 -0.3422 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0451 -1.2022 0.4088 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1603 -1.7703 0.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7755 -3.2194 -0.6147 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2539 0.9738 -1.3092 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.5249 0.6871 -0.4628 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1010 -1.0124 1.1204 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5511 -0.2128 0.4079 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4837 1.5124 0.2145 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6302 0.6850 -0.1679 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4838 1.3944 1.7293 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9260 1.1976 -0.1294 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3682 -1.2438 -0.6923 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4782 -0.2875 -0.9896 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2734 0.1303 0.9003 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1217 1.0508 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7753 -2.5528 -0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9566 -0.0660 -0.5154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9127 -1.6780 0.5584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1095 -1.9337 -0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7793 -1.7689 0.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8238 -0.7686 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 -2.9957 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1528 -0.3575 0.3156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5308 -3.8256 -0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5665 1.2792 -1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9267 -0.6995 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8186 0.7635 -0.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8442 2.3271 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1989 1.2151 0.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0648 0.8524 -1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -0.8555 -1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7386 0.1202 -1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3101 0.2246 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 0.9953 3.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 0.0772 1.9708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -3.0315 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2168 -2.4004 0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5803 1.2202 -1.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4629 3.0332 -0.5406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 -2.3162 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 -1.1904 0.9445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5494 -3.5591 -1.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6722 0.7983 3.3718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -3.7632 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 -3.4076 0.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9396 2.0348 -3.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3862 5.0020 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8997 2.1118 -1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8259 -1.7924 1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0608 -0.6952 1.1099 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 2 6 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 2 16 2 0 0 0 0 3 28 1 0 0 0 0 3 32 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 33 1 0 0 0 0 8 27 1 0 0 0 0 8 56 1 0 0 0 0 9 29 1 0 0 0 0 9 57 1 0 0 0 0 10 34 1 0 0 0 0 10 60 1 0 0 0 0 11 61 1 0 0 0 0 13 64 1 0 0 0 0 14 65 1 0 0 0 0 15 37 2 0 0 0 0 17 42 2 0 0 0 0 18 31 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 32 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 36 2 0 0 0 0 20 39 1 0 0 0 0 21 37 1 0 0 0 0 21 42 1 0 0 0 0 21 62 1 0 0 0 0 22 35 2 0 0 0 0 22 43 1 0 0 0 0 23 41 1 0 0 0 0 23 43 2 0 0 0 0 24 41 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 26 45 1 0 0 0 0 27 31 1 0 0 0 0 27 47 1 0 0 0 0 28 33 1 0 0 0 0 28 46 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 34 1 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 34 55 1 0 0 0 0 35 39 1 0 0 0 0 36 58 1 0 0 0 0 38 40 2 0 0 0 0 38 59 1 0 0 0 0 39 41 2 0 0 0 0 40 42 1 0 0 0 0 40 63 1 0 0 0 0 43 66 1 0 0 0 0 M END > DB01792 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FZCSEXOMUJFOHQ-KPKSGTNCSA-N/SDF?record_type=3d > NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2OP(O)(O)=O)N2C=CC(=O)NC2=O)[C@H]1O > InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1 > FZCSEXOMUJFOHQ-KPKSGTNCSA-N > C19H25N7O15P2 > 653.3872 > 653.088386189 > 16 > 68 > 52.773023008737404 > 0 > 8 > 0 > 0 > {[(2R,3S,4R,5R)-2-{[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid > -6.372839763532557 > 1 > 5 > -3 > 0.8958376441720506 > 0.8311693649451896 > 4.8784235086489165 > 320.69999999999993 > 133.728 > 10 > 0 > 4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]-2-phosphonophenoxyacetic acid > 0 $$$$