5310967 -OEChem-10051720483D 26 26 0 0 0 0 0 0 0999 V2000 -4.6503 0.2085 0.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0461 -1.4870 -0.1490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3304 0.6611 -0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2889 -0.3134 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9196 0.1439 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 0.7893 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4862 0.3261 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5708 -0.6965 0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5060 1.2155 0.3177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 -0.9967 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8152 0.7486 0.3555 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -0.5993 0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6204 0.8017 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 1.6453 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2452 -1.2885 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9735 -0.4601 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 -0.7884 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9442 0.3325 -0.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1093 1.7370 0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3040 -0.8223 1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5951 -1.6787 0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5821 -0.2796 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 2.2686 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0389 -1.7564 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6413 1.4186 0.5643 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 -1.0133 0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 11 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 M END > DB05855 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JUOSGGQXEBBCJB-GORDUTHDSA-N/SDF?record_type=3d > CNCC\C=C\C1=CN=CC=C1 > InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3/b5-2+ > JUOSGGQXEBBCJB-GORDUTHDSA-N > C10H14N2 > 162.2316 > 162.115698458 > 2 > 26 > 1.0076026835390621 > 19.23615604795368 > 1 > 1 > 0 > 1 > methyl[(3E)-4-(pyridin-3-yl)but-3-en-1-yl]amine > 1.33 > 1.212499097 > -1.53 > 0 > 1 > 1 > 1 > 10.47250780200123 > 24.92 > 52.222699999999996 > 4 > 1 > 4.74e+00 g/l > biotin > 1 $$$$