1549008 -OEChem-02031917473D 47 48 0 1 0 0 0 0 0999 V2000 -0.9064 2.1676 -0.8185 N 0 0 2 0 0 0 0 0 0 0 0 0 -1.0240 1.4194 0.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3358 0.6961 0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4976 -0.6142 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -1.2416 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4588 -0.9515 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4019 2.8067 -0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3969 1.3815 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -1.3171 -0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9741 3.1637 -0.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -0.5385 0.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6381 0.7644 1.2471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 -2.5536 -0.2861 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7938 -0.2846 -0.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1601 -2.0761 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5413 -1.5343 1.7088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5125 1.8049 -0.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6191 -2.6199 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8604 -3.2368 -0.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3757 0.0554 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4552 1.8371 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4951 0.8713 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9308 2.1048 1.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2126 0.7043 0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4986 3.3031 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 3.5864 -0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2763 2.3902 1.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4512 -0.8867 -0.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8030 3.8079 -1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 3.8189 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9504 2.7072 -1.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7986 -1.0015 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4653 1.2955 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8863 -3.0555 -0.2003 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7653 0.1470 -1.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6186 -1.0054 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0337 0.5287 0.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2078 -2.5701 -0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 -1.6902 -1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9452 -2.8405 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7492 -0.7531 2.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5988 -2.0145 1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3357 -2.2854 1.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5401 1.0269 -1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 -3.1516 -1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0015 -4.2507 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4431 2.6098 0.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 11 1 0 0 0 0 5 13 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 20 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 19 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 2 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 3 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 M END > DB00857 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DOMXUEMWDBAQBQ-WEVVVXLNSA-N/SDF?record_type=3d > CN(C\C=C\C#CC(C)(C)C)CC1=CC=CC2=CC=CC=C12 > InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+ > DOMXUEMWDBAQBQ-WEVVVXLNSA-N > C21H25N > 291.4299 > 291.198699805 > 1 > 47 > 35.837349567196924 > 1 > 0 > 0 > 1 > [(2E)-6,6-dimethylhept-2-en-4-yn-1-yl](methyl)[(naphthalen-1-yl)methyl]amine > 5.51 > 5.527483033666666 > -5.60 > 0 > 2 > 1 > 8.858516802624113 > 3.24 > 98.07520000000001 > 6 > 0 > 7.38e-04 g/l > saquinavir > 1 $$$$