162501 -OEChem-12201914083D 37 38 0 1 0 0 0 0 0999 V2000 -3.5067 -1.5442 0.1522 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 1.3558 1.0314 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7316 -0.2039 0.6234 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 1.7506 0.3631 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4911 -2.2228 -0.9076 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6902 -0.9650 -0.7855 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8178 -2.8031 -0.2447 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9622 -2.4389 1.2676 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6008 0.5746 0.1951 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9472 4.2128 -0.0628 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6993 -0.5209 0.0592 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0318 2.8918 -0.6903 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5767 1.8713 0.3090 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3500 2.3396 -0.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7625 1.7287 0.3456 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2689 0.6943 -0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9971 -0.6651 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 0.6851 0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6619 -1.8173 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1485 -1.7820 -0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -3.1413 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6471 2.9746 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2631 2.3126 1.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2759 1.5748 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 3.0845 -1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 2.4766 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 0.1724 -1.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 1.0656 -0.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8855 4.5505 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5431 4.8769 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0793 -0.7025 0.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 -0.4656 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 -3.5534 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0952 -3.0680 -0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3342 -3.8506 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -3.0997 -1.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 -1.5838 -1.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 4 18 2 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 20 2 0 0 0 0 9 15 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 M END > DB03233 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BQZMHQZNZNBJNF-XLPZGREQSA-N/SDF?record_type=3d > [H]N([H])[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)N1C=C(C)C(=O)N([H])C1=O > InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 > BQZMHQZNZNBJNF-XLPZGREQSA-N > C10H16N3O7P > 321.2237 > 321.072586393 > 8 > 37 > -1.0798300412957356 > 27.80336013611788 > 1 > 4 > 0 > 0 > {[(2S,3S,5R)-3-amino-5-(4-hydroxy-5-methyl-2-oxo-1,2-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid > -1.60 > -1.9945973781595552 > -1.76 > 0 > -1 > 2 > -1 > 6.274352784314538 > 1.2649583135504 > 9.199488599596771 > 154.90999999999997 > 68.2641 > 4 > 1 > 5.61e+00 g/l > N-{3-[4-(3-aminopropyl)piperazin-1-yl]propyl}-3-[2-(thiophen-2-yl)acetamido]-5-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}benzamide > 0 $$$$