9547890 -OEChem-10051721173D 44 46 0 0 0 0 0 0 0999 V2000 1.0373 -0.0456 -0.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8336 1.1078 -0.1601 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6445 -0.1670 0.0932 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0519 -2.1037 0.0347 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 -2.2953 0.2232 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0956 -4.1814 0.3149 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 0.2003 -0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4293 1.2202 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7419 -0.5503 -0.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6117 2.1788 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9221 0.4111 -0.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 1.4288 0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2473 -0.7795 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1252 -0.7610 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3736 -0.1748 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0115 2.2909 -0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1990 1.0617 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5166 -0.9475 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8062 2.5672 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9817 2.3184 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2164 -2.7790 0.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2498 0.7569 -1.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 0.6978 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5032 1.8068 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -1.2226 -1.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8779 -1.1791 0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 2.8503 1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4812 2.8079 -0.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8676 0.9374 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8602 -0.1555 -0.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 2.1422 0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1354 0.9141 1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -1.3352 0.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -1.4902 -1.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 3.1483 -0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 1.9377 -0.2819 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5374 1.7737 1.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3417 3.5199 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1313 2.6139 2.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4330 2.1863 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5159 3.2729 -1.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7213 1.5131 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -4.7430 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1782 -4.6048 0.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 2 36 1 0 0 0 0 3 17 2 0 0 0 0 3 18 1 0 0 0 0 4 14 2 0 0 0 0 4 21 1 0 0 0 0 5 18 1 0 0 0 0 5 21 2 0 0 0 0 6 21 1 0 0 0 0 6 43 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 18 2 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 M END > DB08247 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JABXNQUXGJTKRO-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C1=NC2=C(OCC3CCCCC3)N=C(N)N=C2N1 > InChI=1S/C15H23N5O/c1-9(2)12-17-11-13(18-12)19-15(16)20-14(11)21-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H3,16,17,18,19,20) > JABXNQUXGJTKRO-UHFFFAOYSA-N > C15H23N5O > 289.376 > 289.190260383 > 5 > 44 > -0.0002677050233715547 > 32.98938122546307 > 1 > 2 > 0 > 1 > 6-(cyclohexylmethoxy)-8-(propan-2-yl)-9H-purin-2-amine > 3.35 > 3.4709721506666664 > -3.46 > 0 > 0 > 3 > 0 > 17.062769699688264 > 9.330219716604596 > 4.64754926386622 > 89.71000000000001 > 82.3956 > 4 > 1 > 1.00e-01 g/l > biotin > 0 $$$$