4564 -OEChem-10051719543D 35 37 0 0 0 0 0 0 0999 V2000 0.3560 0.2626 -0.2651 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -1.4301 0.0487 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1131 2.1290 -0.2522 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6287 -0.9751 0.2047 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1968 1.3802 0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7909 -3.1538 0.3633 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7082 -0.1254 -0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9882 0.8845 0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8009 -1.2017 -0.4706 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 1.4964 0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1928 -0.5864 -0.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4640 0.4234 0.5149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3314 -0.7625 -0.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9546 -0.1192 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0062 0.7740 -0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3129 0.3320 0.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 -1.7727 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4437 2.4447 -0.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 0.4265 -1.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2481 1.6931 0.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 0.3923 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.8190 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6253 -1.8726 -1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5699 2.1631 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4277 2.1126 -0.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2860 -0.0912 -1.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9496 -1.3783 -0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 0.8933 0.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -0.0987 1.4784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2888 -1.3024 0.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1479 -1.4702 -1.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 2.7816 -0.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7937 3.4642 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7423 -3.4746 0.4785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0163 -3.8029 0.3658 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 14 2 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 18 1 0 0 0 0 3 32 1 0 0 0 0 4 16 1 0 0 0 0 4 17 2 0 0 0 0 5 16 1 0 0 0 0 5 18 2 0 0 0 0 6 17 1 0 0 0 0 6 34 1 0 0 0 0 6 35 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 19 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 18 33 1 0 0 0 0 M END > DB02407 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MWGXGTJJAOZBNW-UHFFFAOYSA-N/SDF?record_type=3d > NC1=NC(OCC2CCCCC2)=C2N=CNC2=N1 > InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17) > MWGXGTJJAOZBNW-UHFFFAOYSA-N > C12H17N5O > 247.2963 > 247.143310191 > 5 > 35 > -0.004759273188137195 > 26.69348991676305 > 1 > 2 > 0 > 1 > 6-(cyclohexylmethoxy)-9H-purin-2-amine > 2.15 > 2.104385294666667 > -2.47 > 0 > 0 > 3 > 0 > 17.018241700749474 > 8.984413968096327 > 4.758563924029351 > 89.71000000000001 > 68.7535 > 3 > 1 > 8.29e-01 g/l > biotin > 0 $$$$