61810 -OEChem-10051719373D 30 30 0 1 0 0 0 0 0999 V2000 1.6880 0.2867 0.7984 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1870 -0.1185 -0.9863 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4137 0.0587 0.1108 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7499 0.3803 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 0.2150 0.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 -1.3884 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8047 0.0496 -0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 1.2942 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7506 -1.0129 0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1338 0.2874 0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9583 1.1415 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0091 -1.1655 -0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6129 -0.0883 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2807 0.0602 -0.2842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3387 0.7266 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6546 1.4110 1.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6899 -0.2531 1.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 1.2446 1.1462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.6442 -0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5752 -2.0999 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0959 -1.5793 -1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 0.7003 -0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 -0.9860 -0.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1966 2.2549 -0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2942 -1.8570 1.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 1.3159 0.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2178 -0.3756 1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 1.9800 -1.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5197 -2.1226 -0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5929 -0.2070 -1.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 14 3 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 11 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 9 25 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 2 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 13 30 1 0 0 0 0 M END > DB01550 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IQUFSXIQAFPIMR-UHFFFAOYSA-N/SDF?record_type=3d > CC(CC1=CC=CC=C1)NCCC#N > InChI=1S/C12H16N2/c1-11(14-9-5-8-13)10-12-6-3-2-4-7-12/h2-4,6-7,11,14H,5,9-10H2,1H3 > IQUFSXIQAFPIMR-UHFFFAOYSA-N > C12H16N2 > 188.2688 > 188.131348522 > 2 > 30 > 0.8838921457629311 > 22.036433201168144 > 1 > 1 > 0 > 1 > 3-[(1-phenylpropan-2-yl)amino]propanenitrile > 2.14 > 2.0097757866666663 > -3.01 > 0 > 1 > 1 > 1 > 7.881537675753346 > 35.82 > 58.24310000000002 > 5 > 1 > 1.84e-01 g/l > biotin > 1 $$$$