89950 -OEChem-01072017273D 64 68 0 1 0 0 0 0 0999 V2000 2.8485 0.3304 -2.5812 P 0 0 2 0 0 0 0 0 0 0 0 0 0.4046 -1.5646 -0.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2382 3.1102 1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 1.1179 -1.1729 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0208 -1.0131 -2.2162 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 -4.6659 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5611 3.8019 -1.3702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -4.5173 0.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4824 3.7832 1.1155 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 -0.2283 -2.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 1.1440 -3.6969 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 0.2539 1.8260 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0754 1.7262 -1.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1194 -2.0928 4.4067 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -1.1877 -0.7543 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9020 0.9494 1.8265 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4308 -0.6132 0.9732 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6755 0.0831 -2.3934 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6303 -0.9139 3.1099 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1231 0.9391 0.2707 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 0.0671 2.4597 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 1.6494 -0.5275 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3325 -2.5411 -0.5113 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5254 -3.4058 -1.4642 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4275 2.9692 -1.1270 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8193 -3.4858 -0.7663 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9240 -2.1260 -0.0735 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1372 2.0339 0.9164 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6269 3.5871 0.0113 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5060 -1.8425 -1.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8360 3.1643 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9022 -0.5532 -0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 -0.7682 -2.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9727 0.1129 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 0.7229 2.3199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4173 0.2166 -1.2536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3113 -0.2600 3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5966 1.0271 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3719 -1.1788 3.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5644 0.1686 1.1862 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0401 0.9311 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7017 -3.1319 0.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4054 -2.9169 -2.4362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 2.8666 -2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6352 -3.7039 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -2.2284 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 2.4016 1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6992 4.6804 0.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2048 -2.5693 -1.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0404 -1.2432 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9613 2.0828 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3302 3.4940 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 -5.2027 -2.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2308 4.6484 -1.7166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6983 -4.4939 0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9348 -1.1026 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 1.3826 1.9964 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 -1.1813 1.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4134 3.5029 1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3841 -1.5277 3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6991 -0.4077 3.5288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -0.6305 -3.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6264 -0.5273 3.1546 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8885 0.5864 2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 23 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 22 1 0 0 0 0 5 30 1 0 0 0 0 6 24 1 0 0 0 0 6 53 1 0 0 0 0 7 25 1 0 0 0 0 7 54 1 0 0 0 0 8 26 1 0 0 0 0 8 55 1 0 0 0 0 9 31 1 0 0 0 0 9 59 1 0 0 0 0 10 62 1 0 0 0 0 12 34 2 0 0 0 0 13 38 2 0 0 0 0 14 39 2 0 0 0 0 15 27 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 28 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 32 1 0 0 0 0 17 40 1 0 0 0 0 17 58 1 0 0 0 0 18 33 2 0 0 0 0 18 36 1 0 0 0 0 19 34 1 0 0 0 0 19 39 1 0 0 0 0 19 60 1 0 0 0 0 20 38 1 0 0 0 0 20 40 2 0 0 0 0 21 40 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 25 1 0 0 0 0 22 28 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 30 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 29 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 31 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 32 36 2 0 0 0 0 33 56 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 61 1 0 0 0 0 M END > DB04514 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DFYLLEBFVZTKHD-VMIOUTBZSA-N/SDF?record_type=3d > [H]N([H])C1=NC(=O)C2=C(N1[H])N(C=N2)[C@@H]1O[C@H](COP(O)(=O)O[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2N2C=CC(=O)N([H])C2=O)[C@@H](O)[C@H]1O > InChI=1S/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)/t6-,7-,10-,11-,12-,13-,16-,17-/m1/s1 > DFYLLEBFVZTKHD-VMIOUTBZSA-N > C19H24N7O13P > 589.4067 > 589.116970401 > 15 > 64 > -1.0019378561712042 > 51.14386105586462 > 0 > 8 > 0 > 0 > {[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[(2R,3R,4R,5R)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid > -1.77 > -4.309657553875612 > -2.18 > 1 > -1 > 5 > -1 > 9.698115255584291 > 1.78093653773639 > 2.8707879129652234 > 289.84999999999997 > 123.84719999999996 > 8 > 0 > 3.94e+00 g/l > (E)-N''-(4-chlorophenyl)-N-hydroxyguanidine > 0 $$$$