2815031 -OEChem-10051722513D 39 40 0 0 0 0 0 0 0999 V2000 -9.0206 0.5164 0.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7565 -0.5341 -0.7142 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.9105 -0.4915 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 -1.7245 0.5057 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6105 1.4143 -0.7385 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8412 1.7981 0.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1438 0.0500 1.1609 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1668 -0.1826 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8065 -0.2363 0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2817 0.1500 0.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4526 -0.5781 -0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6339 -0.8823 -1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6509 0.1695 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 0.1430 -0.3571 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7737 0.5312 0.8325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9253 -0.3828 0.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -2.0091 0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9693 0.4977 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 2.1701 -0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3789 -1.1482 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1501 0.5732 -1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6102 0.7306 0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8283 -1.0024 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 1.1275 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2898 -0.5909 1.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4396 -1.3448 0.7172 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2376 0.3847 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4737 -1.8602 -1.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 -0.1306 -1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9480 -1.4269 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8614 -0.8091 -0.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6471 0.8853 -0.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8212 -0.1886 1.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6178 1.5320 1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -2.9849 0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6186 3.2179 -0.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7035 0.7517 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2423 -0.9202 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8889 0.7089 1.3417 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 37 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 30 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 16 1 0 0 0 0 4 17 2 0 0 0 0 5 14 2 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 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 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 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 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 2 0 0 0 0 17 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > DB12716 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CVPTTZZCRDVGSU-UHFFFAOYSA-N/SDF?record_type=3d > NC1=C2N=CN(CCNCCCCCO)C2=NC=N1 > InChI=1S/C12H20N6O/c13-11-10-12(16-8-15-11)18(9-17-10)6-5-14-4-2-1-3-7-19/h8-9,14,19H,1-7H2,(H2,13,15,16) > CVPTTZZCRDVGSU-UHFFFAOYSA-N > C12H20N6O > 264.333 > 264.169859288 > 6 > 39 > 29.442667716825813 > 1 > 3 > 0 > 1 > 5-{[2-(6-amino-9H-purin-9-yl)ethyl]amino}pentan-1-ol > -0.21 > -0.33995101633333324 > -2.37 > 0 > 2 > 1 > 18.589855375590297 > 16.843914982077475 > 10.260936841140518 > 101.88 > 74.6237 > 8 > 1 > 1.13e+00 g/l > 5-{[2-(6-aminopurin-9-yl)ethyl]amino}pentan-1-ol > 0 $$$$