66535 -OEChem-12021918353D 35 36 0 1 0 0 0 0 0999 V2000 3.2778 1.4340 0.6053 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0586 -1.7913 -0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8548 -0.0775 0.2286 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 0.5810 -2.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0303 -4.1029 0.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8753 1.3413 0.8394 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 1.6011 2.1031 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4771 1.3134 -2.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 2.4834 -0.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5823 -0.0872 -0.5125 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6645 1.0898 -0.1921 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8754 0.8577 1.7797 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4801 -0.3739 0.1072 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7804 0.4397 -0.9633 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2422 -1.7975 -0.3674 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4236 -0.4337 -1.2912 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2727 -2.8192 0.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7262 -0.6416 0.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5752 0.8017 -0.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7653 -0.3765 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7851 0.5580 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0042 -0.2073 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 1.4435 -0.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9636 -2.0873 -1.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6735 -0.3908 -2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5187 -2.6404 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2573 -2.8287 1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 1.0601 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9765 -1.3149 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0757 -4.7412 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8843 -0.8050 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3759 2.1638 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7350 2.4810 2.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9977 0.4609 2.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5960 1.4903 1.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 19 2 0 0 0 0 10 16 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 21 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 29 1 0 0 0 0 20 21 1 0 0 0 0 20 31 1 0 0 0 0 M END > DB01961 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UOOOPKANIPLQPU-XVFCMESISA-N/SDF?record_type=3d > NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]1O > InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > UOOOPKANIPLQPU-XVFCMESISA-N > C9H14N3O8P > 323.1965 > 323.051850951 > 9 > 35 > 26.90825020059832 > 1 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid > -1.99 > -2.8899129497479428 > -1.26 > 0 > 2 > -2 > 5.916292430714365 > 0.8018790681831152 > 4.188964215204051 > 175.14 > 65.4177 > 4 > 1 > 1.76e+01 g/l > rolipram > 0 $$$$