49866787 -OEChem-12271908533D 63 67 0 1 0 0 0 0 0999 V2000 -1.6172 -0.2747 -2.5706 P 0 0 2 0 0 0 0 0 0 0 0 0 2.3437 -1.6437 -1.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6534 1.9737 1.2933 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5848 0.6670 -1.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -1.0982 -2.5314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5814 -4.6642 -1.0637 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 4.7503 1.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 0.7498 -3.8051 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8452 -1.1309 -2.6913 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6541 -1.6959 0.7931 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 3.7033 1.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4253 -0.5801 0.3701 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 -0.3433 1.3774 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2602 1.0906 -0.9592 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2641 0.8087 1.9209 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8244 -2.7404 1.6375 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4711 3.3357 -0.1335 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2299 2.8328 -2.0736 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 -3.8043 2.5036 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.6362 -1.0570 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3471 -2.6802 -1.6567 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6570 -3.6989 -0.5676 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1280 -1.8656 -0.3600 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3514 -2.8682 0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 2.5831 0.0656 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8307 0.9409 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 0.8805 0.9922 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0220 -2.0354 -1.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8759 3.9475 -0.0468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0177 0.6718 0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1818 -0.4466 1.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 1.5092 1.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5928 -0.2784 1.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5118 -1.6040 1.2462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 -1.3592 2.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2685 2.9332 0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0117 2.4608 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6122 -2.6629 2.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 2.1522 -2.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4389 -3.1031 -2.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 -4.2331 -0.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1069 -2.2536 -0.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -3.4447 1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6137 -2.3537 1.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1217 2.7004 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0641 -0.0226 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7009 1.5917 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4474 0.9738 1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 -1.4953 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8148 -2.7892 -1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9663 3.8671 0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5944 4.4443 -0.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1345 -5.1552 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -1.2960 1.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 0.6767 1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8743 0.4700 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8857 5.6153 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5338 0.4228 -4.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0853 -1.3150 2.6815 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8732 2.1493 -2.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9734 3.8025 -2.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -4.7157 2.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0034 -3.7772 2.8765 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 8 1 0 0 0 0 1 9 2 0 0 0 0 2 21 1 0 0 0 0 2 23 1 0 0 0 0 3 25 1 0 0 0 0 3 27 1 0 0 0 0 4 20 1 0 0 0 0 5 28 1 0 0 0 0 6 22 1 0 0 0 0 6 53 1 0 0 0 0 7 29 1 0 0 0 0 7 57 1 0 0 0 0 8 58 1 0 0 0 0 10 34 2 0 0 0 0 11 36 2 0 0 0 0 12 23 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 27 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 30 1 0 0 0 0 14 37 1 0 0 0 0 14 56 1 0 0 0 0 15 31 2 0 0 0 0 15 32 1 0 0 0 0 16 34 1 0 0 0 0 16 38 2 0 0 0 0 17 36 1 0 0 0 0 17 37 2 0 0 0 0 18 37 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 38 1 0 0 0 0 19 62 1 0 0 0 0 19 63 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 29 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 30 32 2 0 0 0 0 31 54 1 0 0 0 0 32 36 1 0 0 0 0 33 35 2 0 0 0 0 33 55 1 0 0 0 0 35 38 1 0 0 0 0 35 59 1 0 0 0 0 M END > DB03326 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OBCJQWSXSLYWHI-GVKYBDNRSA-N/SDF?record_type=3d > NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](COP(O)(=O)OC2CC(OC2CO)N2C=CC(N)=NC2=O)O1 > InChI=1S/C19H25N8O10P/c20-12-1-2-26(19(31)23-12)14-4-9(10(5-28)35-14)37-38(32,33)34-6-11-8(29)3-13(36-11)27-7-22-15-16(27)24-18(21)25-17(15)30/h1-2,7-11,13-14,28-29H,3-6H2,(H,32,33)(H2,20,23,31)(H3,21,24,25,30)/t8-,9?,10?,11+,13+,14?/m0/s1 > OBCJQWSXSLYWHI-GVKYBDNRSA-N > C19H25N8O10P > 556.4232 > 556.143125572 > 14 > 63 > -1.0920756533752147 > 50.00903991075445 > 0 > 6 > 0 > 0 > {[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}({[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy})phosphinic acid > -2.566841488756983 > 1 > -1 > 5 > -1 > 7.996216552656879 > 1.7490509080551633 > 4.304190973880553 > 258.6700000000001 > 122.80499999999998 > 8 > 0 > N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl]cyclopentanecarboxamide > 0 $$$$