3518 -OEChem-10051719313D 36 36 0 0 0 0 0 0 0999 V2000 -0.8292 0.6387 0.2012 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 0.6933 -0.0259 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 0.3662 -0.2416 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8483 -1.4851 -0.3501 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 -0.2957 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 1.7144 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4446 -1.6774 0.8141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2909 1.2617 0.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8256 -1.7690 0.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6822 0.3609 -1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9624 -0.9855 -1.1533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5221 1.1998 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5535 0.0951 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8869 -0.1172 -0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7570 0.0715 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1191 -0.4111 1.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6576 2.3258 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6905 2.3794 1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4432 -2.3596 1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6877 -2.0689 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9119 2.1657 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5719 0.7897 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6109 -1.4960 0.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9916 -2.8297 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 0.9120 -1.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7590 0.1626 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9871 -0.8560 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5485 -1.5934 -1.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7258 1.7642 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6286 1.9060 -0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5275 -0.6383 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3546 -0.4293 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3640 1.3575 -0.1435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9673 -0.2505 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7004 -2.0204 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 -2.0069 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 2 14 2 0 0 0 0 3 14 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 14 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 7 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 9 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 M END > DB01170 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ACGDKVXYNVEAGU-UHFFFAOYSA-N/SDF?record_type=3d > NC(N)=NCCN1CCCCCCC1 > InChI=1S/C10H22N4/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14/h1-9H2,(H4,11,12,13) > ACGDKVXYNVEAGU-UHFFFAOYSA-N > C10H22N4 > 198.3085 > 198.184446724 > 4 > 36 > 1.989347647969594 > 23.673218637722044 > 1 > 2 > 0 > 1 > N''-[2-(azocan-1-yl)ethyl]guanidine > 0.89 > 0.7449850346666667 > -1.95 > 0 > 2 > 1 > 2 > 11.769574089203532 > 67.64 > 59.7037 > 3 > 1 > 2.25e+00 g/l > biotin > 0 $$$$