3002085 -OEChem-05201910463D 65 69 0 1 0 0 0 0 0999 V2000 -2.2852 3.4703 2.7771 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6386 3.4940 0.7779 P 0 0 1 0 0 0 0 0 0 0 0 0 1.9163 1.9627 -1.0769 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 2.2877 0.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1147 0.3836 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6959 0.2350 1.8188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 3.1004 -0.2240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6373 0.4281 -2.0295 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3764 4.3575 -1.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 4.8416 0.4392 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7693 -2.0724 -0.3115 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3465 -2.2194 -0.8338 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9299 -0.0496 -0.4542 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7417 -1.9551 -1.2483 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0488 -2.1435 -0.5709 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -3.8924 -0.7481 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3168 -1.1909 0.9846 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 -2.7927 2.6812 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -4.8336 2.1296 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7815 2.4978 0.9325 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4867 1.1704 1.1147 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5158 3.0875 -0.2640 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7467 0.7518 -0.3222 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3855 1.0529 -1.3387 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4237 -0.0469 -1.4839 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7312 -1.0011 -2.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2602 -0.8535 -2.0603 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7679 3.8641 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 1.8665 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8326 -1.4609 -0.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 0.5621 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7893 -2.0631 0.1124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7339 0.4610 3.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1142 -3.0779 -1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1743 -3.2706 0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3201 -0.1021 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3061 -1.5787 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0892 -3.6267 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1752 -1.6436 2.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8154 3.1279 1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4426 1.3231 1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8749 3.7071 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 0.2102 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 1.7212 -2.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -0.5363 -0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -0.6801 -3.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1137 -2.0242 -2.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6291 -0.8025 -2.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4971 3.2528 0.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5023 4.7185 0.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1523 1.3259 0.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 2.1078 0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2024 1.6411 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2093 -0.3427 -2.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7579 0.3718 3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3236 1.4424 3.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1239 -0.3030 3.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9456 -3.2470 -2.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1639 4.8591 -0.7876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0026 -3.1586 -0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 0.4090 -0.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1065 3.7339 3.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5734 -0.9989 3.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 -5.0697 3.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -5.4570 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 62 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 2 10 2 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 20 1 0 0 0 0 5 24 1 0 0 0 0 5 27 1 0 0 0 0 6 21 1 0 0 0 0 6 33 1 0 0 0 0 7 29 1 0 0 0 0 8 25 1 0 0 0 0 8 54 1 0 0 0 0 9 28 1 0 0 0 0 9 59 1 0 0 0 0 11 30 2 0 0 0 0 12 37 2 0 0 0 0 13 23 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 27 1 0 0 0 0 14 32 1 0 0 0 0 14 34 1 0 0 0 0 15 30 1 0 0 0 0 15 37 1 0 0 0 0 15 60 1 0 0 0 0 16 34 2 0 0 0 0 16 35 1 0 0 0 0 17 32 2 0 0 0 0 17 39 1 0 0 0 0 18 38 1 0 0 0 0 18 39 2 0 0 0 0 19 38 1 0 0 0 0 19 64 1 0 0 0 0 19 65 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 28 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 31 36 2 0 0 0 0 31 53 1 0 0 0 0 32 35 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 35 38 2 0 0 0 0 36 37 1 0 0 0 0 36 61 1 0 0 0 0 39 63 1 0 0 0 0 M END > DB15062 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LYMICVBGNUEHGE-FUQPUAIBSA-N/SDF?record_type=3d > CO[C@@H]1[C@H](OP(S)(=O)OC[C@H]2O[C@H](C[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](CO)O[C@H]1N1C=CC(=O)NC1=O > InChI=1S/C20H26N7O10PS/c1-33-16-15(10(5-28)36-19(16)26-3-2-12(30)25-20(26)31)37-38(32,39)34-6-11-9(29)4-13(35-11)27-8-24-14-17(21)22-7-23-18(14)27/h2-3,7-11,13,15-16,19,28-29H,4-6H2,1H3,(H,32,39)(H2,21,22,23)(H,25,30,31)/t9-,10+,11+,13+,15+,16+,19+,38?/m0/s1 > LYMICVBGNUEHGE-FUQPUAIBSA-N > C20H26N7O10PS > 587.5 > 587.119948237 > 12 > 65 > 54.44074099104697 > 0 > 5 > 0 > 0 > [(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl (2R,3R,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl sulfanylphosphonate > -0.60 > -4.0560322997310365 > -2.51 > 1 > 5 > -1 > 9.701307113127736 > 0.9731824449266532 > 3.9589247957592963 > 222.70999999999998 > 130.08679999999998 > 9 > 0 > 1.81e+00 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$