445076 -OEChem-11061915433D 50 51 0 1 0 0 0 0 0999 V2000 7.0256 -1.8786 -1.9401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8607 -2.4854 -1.6318 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1247 2.2189 -1.4886 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6273 -1.2143 3.7143 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7304 0.4968 2.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7470 -0.7567 -0.4041 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8863 0.2192 0.8413 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1468 -0.0131 -0.8588 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 1.4629 -0.0932 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2625 0.8988 0.1786 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -1.2253 -0.0563 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6042 -1.5904 0.2677 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8247 1.9764 0.8281 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1527 -3.3444 -0.3220 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5597 -0.2276 -1.0436 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3772 0.0957 0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0715 -0.7615 1.4478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7463 -1.6443 -1.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5392 1.2113 -1.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0786 1.2768 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.3952 2.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3004 0.1228 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4856 2.4928 -0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6637 1.4007 -0.3404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0706 0.1847 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1144 2.5548 -0.2489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3804 0.1188 0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 0.4188 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5748 0.6674 0.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4103 -2.0322 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7846 -0.2484 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8872 0.4366 -1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2233 1.1509 0.4747 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4454 -0.0033 -0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 -0.6520 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2687 -1.8149 1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6133 -0.7793 -0.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7177 -0.8364 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0756 3.4019 -0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 -0.7486 -0.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3345 3.5088 0.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3963 2.3826 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1417 -2.7911 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3557 1.8878 0.3871 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3962 -1.6120 -0.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1720 -0.9918 4.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0773 2.6573 0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 2.2682 1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8941 -4.0364 -0.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -3.6627 -0.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 43 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 21 1 0 0 0 0 4 46 1 0 0 0 0 5 21 2 0 0 0 0 6 28 2 0 0 0 0 7 31 2 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 8 37 1 0 0 0 0 9 24 1 0 0 0 0 9 28 1 0 0 0 0 9 42 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 44 1 0 0 0 0 11 27 1 0 0 0 0 11 30 1 0 0 0 0 11 45 1 0 0 0 0 12 30 2 0 0 0 0 12 31 1 0 0 0 0 13 29 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 30 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 2 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 29 2 0 0 0 0 29 31 1 0 0 0 0 M END > DB02358 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SZHRIPFGZWWRKW-VIFPVBQESA-N/SDF?record_type=3d > [H]N([H])C1=NC(=O)C(N([H])[H])=C(N([H])C(=O)N([H])C2=CC=C(C=C2)C(=O)N([H])[C@@H](CCC(O)=O)C(O)=O)N1[H] > InChI=1S/C17H19N7O7/c18-11-12(22-16(19)24-14(11)28)23-17(31)20-8-3-1-7(2-4-8)13(27)21-9(15(29)30)5-6-10(25)26/h1-4,9H,5-6,18H2,(H,21,27)(H,25,26)(H,29,30)(H5,19,20,22,23,24,28,31)/t9-/m0/s1 > SZHRIPFGZWWRKW-VIFPVBQESA-N > C17H19N7O7 > 433.3755 > 433.134595997 > 11 > 50 > 40.02695952158005 > 0 > 8 > 0 > 0 > (2S)-2-[(4-{[(2,5-diamino-6-oxo-3,6-dihydropyrimidin-4-yl)carbamoyl]amino}phenyl)formamido]pentanedioic acid > -0.79 > -2.664889633667803 > -3.36 > 0 > 2 > -2 > 4.0541814169623 > 3.451142713818813 > 2.922416391988549 > 238.32999999999998 > 114.42900000000002 > 8 > 0 > 1.89e-01 g/l > 3-carbamoyl-1-[(2R,3R,4S,5R)-5-[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-{imidazo[2,1-f]purin-3-yl}oxolan-2-yl]methoxy(hydroxy)phosphoryl phosphonato}oxy)methyl]-3,4-dihydroxyoxolan-2-yl]-1lambda5-pyridin-1-ylium > 0 $$$$