4761 -OEChem-10051719383D 38 39 0 1 0 0 0 0 0999 V2000 -2.5900 1.8984 -0.2652 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -1.6757 1.0466 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0079 0.4620 -0.0691 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5800 1.3723 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1125 1.4061 1.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5331 0.4749 -0.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5311 -0.9627 -0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1661 0.2721 -1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 0.6886 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2793 -1.3934 -1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1263 3.2671 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0510 1.8390 -0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5604 0.2836 -1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6199 0.7000 1.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -2.6983 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2874 0.4977 -0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 -2.9391 1.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4634 -3.4925 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 0.9220 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3175 0.9766 2.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 2.3781 1.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4665 2.0414 1.8455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 0.4016 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6088 0.1040 -2.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7514 0.8295 2.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5024 -0.7673 -1.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 3.3145 -0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3781 3.9397 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5860 3.6739 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 0.8094 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4073 2.1600 -1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5244 2.4692 0.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0802 0.1253 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1868 0.8617 1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 -3.0956 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3731 0.5054 -0.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4393 -3.5168 1.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 -4.5124 0.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 17 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 13 1 0 0 0 0 8 24 1 0 0 0 0 9 14 2 0 0 0 0 9 25 1 0 0 0 0 10 15 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 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 16 2 0 0 0 0 13 33 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB01620 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IJHNSHDBIRRJRN-UHFFFAOYSA-N/SDF?record_type=3d > CN(C)CCC(C1=CC=CC=C1)C1=CC=CC=N1 > InChI=1S/C16H20N2/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16/h3-10,12,15H,11,13H2,1-2H3 > IJHNSHDBIRRJRN-UHFFFAOYSA-N > C16H20N2 > 240.3434 > 240.16264865 > 2 > 38 > 0.9974542765975958 > 28.409848442993223 > 1 > 0 > 0 > 1 > dimethyl[3-phenyl-3-(pyridin-2-yl)propyl]amine > 2.85 > 2.9809062386666665 > -2.80 > 0 > 1 > 2 > 1 > 9.484963287532704 > 16.130000000000003 > 76.04550000000002 > 5 > 1 > 3.77e-01 g/l > biotin > 1 $$$$