4592 -OEChem-10051719493D 40 42 0 0 0 0 0 0 0999 V2000 -4.3097 -4.0674 -0.8112 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6486 2.9395 -0.0318 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1733 0.3542 -0.0186 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0579 0.5489 0.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4205 2.9427 -0.1028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9669 -0.7097 0.1023 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0428 -1.7878 0.2249 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8819 1.6529 -0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 1.6292 0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2301 0.4245 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8952 -0.8826 0.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3151 -0.5789 0.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 3.6895 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -0.6290 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9990 3.4477 -0.0163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4121 -3.0685 0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0422 -0.5589 -1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -0.4674 1.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4634 -4.1639 0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4168 -0.3234 -1.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4377 -0.2318 1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1146 -0.1598 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 -1.5169 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6363 -1.4499 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6763 1.2329 -0.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5219 4.7696 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 3.1313 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9797 4.5389 -0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5309 3.0391 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0528 -1.7066 0.2525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7607 -3.1490 1.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7988 -3.2090 -0.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5080 -0.6829 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5453 -0.5196 2.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0887 -4.0657 1.2207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9993 -5.1549 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9439 -0.2668 -2.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9811 -0.1037 2.1075 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1849 0.0240 -0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7516 -4.1705 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 40 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 3 25 1 0 0 0 0 4 9 2 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 13 2 0 0 0 0 6 10 1 0 0 0 0 6 12 2 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 21 2 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END > DB02116 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GTVPOLSIJWJJNY-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=NC2=C1N=C(NCCO)N=C2NCC1=CC=CC=C1 > InChI=1S/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20) > GTVPOLSIJWJJNY-UHFFFAOYSA-N > C15H18N6O > 298.343 > 298.154209228 > 6 > 40 > 0.1597693320235406 > 32.851099669151274 > 1 > 3 > 0 > 1 > 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol > 1.58 > 1.1803026716666667 > -2.77 > 1 > 0 > 3 > 0 > 15.902164743012392 > 14.832893520414567 > 5.308444651721487 > 87.89 > 88.03410000000001 > 6 > 1 > 5.09e-01 g/l > biotin > 0 $$$$