148197 -OEChem-11232010403D 75 78 0 1 0 0 0 0 0999 V2000 5.3715 1.2896 0.1006 P 0 0 2 0 0 0 0 0 0 0 0 0 0.4561 -3.2060 1.6976 P 0 0 1 0 0 0 0 0 0 0 0 0 4.7746 -1.5860 0.2771 P 0 0 1 0 0 0 0 0 0 0 0 0 2.9005 -3.8463 0.1951 P 0 0 1 0 0 0 0 0 0 0 0 0 1.9312 3.5980 -1.1342 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 -2.4879 0.7337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 5.6673 0.7985 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5967 -3.3929 -1.9783 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1039 3.8679 0.7565 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7791 -0.6782 -2.1655 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3484 2.5058 -0.2026 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0754 -3.3935 1.2118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9554 3.0147 -2.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3270 0.6542 0.4503 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -0.0099 0.2581 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3101 -3.8231 0.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8831 1.5601 1.6115 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7187 -1.6167 1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4729 1.1271 -0.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7903 -3.7825 3.0423 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 -1.2930 -3.5184 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5911 3.0502 3.2822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -2.2899 0.3038 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2964 -1.8829 -1.2237 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 -4.4860 1.5480 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7049 -2.0234 1.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3229 -4.5246 -1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 2.2043 -1.6797 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2193 -0.2206 0.9515 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3884 0.8695 -2.9231 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9628 1.8463 1.8598 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2735 4.2979 1.0312 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4427 -2.6343 -1.6173 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1961 3.3963 0.4670 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8368 -1.2165 -1.2609 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4714 3.9479 0.1589 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9286 -3.1666 -0.2866 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5097 3.4221 -1.0191 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4023 -1.3889 0.1383 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2672 2.7581 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4537 -2.8710 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1268 2.1022 -2.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 0.7465 1.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 1.1272 -1.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0316 -0.0412 1.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 -0.0416 -2.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7743 1.0124 2.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 -0.2307 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7962 2.0685 2.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4331 4.1668 2.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7313 -2.7006 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2996 2.3880 0.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 -0.5680 -1.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1396 4.8017 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1186 -4.2385 -0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0223 4.2716 -1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4670 -1.6501 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 1.8568 0.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 2.9896 1.6707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 -1.7993 -0.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8559 -3.3540 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6797 6.2046 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3022 -4.3022 -2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 3.2860 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3765 -0.6958 -3.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9681 1.2438 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -0.8019 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 0.7735 -3.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6880 2.5540 1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 -0.8605 -2.2793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 1.1195 2.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6150 1.0136 1.9689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5783 -1.2483 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6426 -2.7753 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -4.6719 1.5921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 1 19 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 2 18 1 0 0 0 0 2 20 2 0 0 0 0 3 15 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 26 2 0 0 0 0 4 16 1 0 0 0 0 4 23 1 0 0 0 0 4 25 1 0 0 0 0 4 27 2 0 0 0 0 5 36 1 0 0 0 0 5 38 1 0 0 0 0 6 37 1 0 0 0 0 6 39 1 0 0 0 0 7 32 1 0 0 0 0 7 62 1 0 0 0 0 8 33 1 0 0 0 0 8 63 1 0 0 0 0 9 34 1 0 0 0 0 9 64 1 0 0 0 0 10 35 1 0 0 0 0 10 65 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 13 42 2 0 0 0 0 14 43 2 0 0 0 0 17 72 1 0 0 0 0 18 73 1 0 0 0 0 21 48 2 0 0 0 0 22 49 2 0 0 0 0 24 74 1 0 0 0 0 25 75 1 0 0 0 0 28 38 1 0 0 0 0 28 42 1 0 0 0 0 28 44 1 0 0 0 0 29 39 1 0 0 0 0 29 43 1 0 0 0 0 29 45 1 0 0 0 0 30 42 1 0 0 0 0 30 48 1 0 0 0 0 30 68 1 0 0 0 0 31 43 1 0 0 0 0 31 49 1 0 0 0 0 31 69 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 50 1 0 0 0 0 33 35 1 0 0 0 0 33 37 1 0 0 0 0 33 51 1 0 0 0 0 34 38 1 0 0 0 0 34 52 1 0 0 0 0 35 39 1 0 0 0 0 35 53 1 0 0 0 0 36 40 1 0 0 0 0 36 54 1 0 0 0 0 37 41 1 0 0 0 0 37 55 1 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 40 58 1 0 0 0 0 40 59 1 0 0 0 0 41 60 1 0 0 0 0 41 61 1 0 0 0 0 44 46 2 0 0 0 0 44 66 1 0 0 0 0 45 47 2 0 0 0 0 45 67 1 0 0 0 0 46 48 1 0 0 0 0 46 70 1 0 0 0 0 47 49 1 0 0 0 0 47 71 1 0 0 0 0 M END > DB15919 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NMLMACJWHPHKGR-NCOIDOBVSA-N/SDF?record_type=3d > O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O)N1C=CC(=O)NC1=O > InChI=1S/C18H26N4O23P4/c23-9-1-3-21(17(29)19-9)15-13(27)11(25)7(41-15)5-39-46(31,32)43-48(35,36)45-49(37,38)44-47(33,34)40-6-8-12(26)14(28)16(42-8)22-4-2-10(24)20-18(22)30/h1-4,7-8,11-16,25-28H,5-6H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,19,23,29)(H,20,24,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 > NMLMACJWHPHKGR-NCOIDOBVSA-N > C18H26N4O23P4 > 790.306 > 789.993831105 > 18 > 75 > -4.005824540268191 > 59.63522639264504 > 0 > 10 > 0 > 0 > [({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphinic acid > 0.36 > -5.322907960333333 > -1.76 > 1 > -4 > 4 > -4 > 1.7292649544715566 > 0.5886861457272994 > -3.7872865905572852 > 393.55 > 144.84380000000002 > 14 > 0 > 1.39e+01 g/l > carbocysteine lysine > 0 $$$$