446659 -OEChem-10051719473D 35 37 0 1 0 0 0 0 0999 V2000 -1.9790 0.4428 -1.0359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 -2.3632 1.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5390 -1.0473 -0.1689 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3259 3.1535 -0.4163 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6036 -2.0671 -0.6038 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9386 -1.9405 -0.4664 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6712 1.3318 0.1307 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1495 1.4006 0.3501 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -0.5242 0.0550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3187 -1.0055 0.8051 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5993 -0.8517 -0.5265 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6083 -0.2456 0.5582 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1446 0.9117 -0.3203 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0953 -0.9147 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 2.1434 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8543 0.0201 -0.1353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1284 -0.6425 -0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 0.0748 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 1.9252 0.3577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7874 0.1985 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -0.5288 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9387 -1.6036 -1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 0.0734 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 1.1812 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9203 1.9315 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5998 2.5218 1.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6634 -2.7885 1.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -1.8370 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2368 -2.9831 -0.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0806 3.9280 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 2.9871 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6235 -1.5150 -0.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7851 0.6304 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9272 1.0007 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6454 -0.4767 0.2345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 15 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 29 1 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 19 2 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 18 1 0 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 23 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 14 16 2 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 31 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END > DB02066 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JRRNRCMIBCSOIH-LFAOKBQASA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(C2=C3N=CN=C(NC)C3=NN2)[C@]([H])(O)[C@]1([H])O > InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1 > JRRNRCMIBCSOIH-LFAOKBQASA-N > C11H15N5O4 > 281.2679 > 281.112403993 > 8 > 35 > -0.003969674864310136 > 27.47761248432892 > 1 > 5 > 0 > 0 > (2R,3S,4R,5S)-2-(hydroxymethyl)-5-[7-(methylamino)-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol > -0.97 > -2.024652326000001 > -1.66 > 0 > 0 > 3 > 0 > 12.806314751086353 > 9.3996924320284 > 0.3282769372843863 > 136.41000000000003 > 69.6565 > 3 > 1 > 6.14e+00 g/l > biotin > 0 $$$$