73342 -OEChem-10051719223D 43 45 0 1 0 0 0 0 0999 V2000 0.5433 2.0240 -0.9393 N 0 0 1 0 0 0 0 0 0 0 0 0 0.7237 1.3523 0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 0.7959 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 -0.5073 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -0.9744 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 2.5008 -1.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0677 1.6269 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 3.1356 -1.0726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4776 -1.3574 -0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7142 -0.1243 0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 1.1676 1.2524 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -2.2776 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 1.3793 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8219 -2.6494 -0.8803 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1240 -3.1086 -0.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7754 1.3477 -0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7761 0.2793 0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5372 -0.9651 -0.4056 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9386 0.5378 0.8652 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4851 -1.9771 -0.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8865 -0.4744 1.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6597 -1.7317 0.4567 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0014 0.5542 0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 2.0588 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9692 2.9384 -2.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0459 3.2957 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8211 2.6310 1.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 3.8329 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2558 3.7124 -1.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5125 2.7917 -1.2224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -1.0539 -0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7379 -0.4625 1.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1181 1.8135 1.7026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 -2.6575 -0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7354 0.5972 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 -3.2958 -1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 -4.1140 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 2.1687 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -1.2075 -0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1304 1.5124 1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3067 -2.9580 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8013 -0.2836 1.5701 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3972 -2.5201 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 8 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 7 2 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 13 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 11 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 14 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 16 2 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > DB00735 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OZGNYLLQHRPOBR-UHFFFAOYSA-N/SDF?record_type=3d > CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12 > InChI=1S/C21H21N/c1-22(16-8-11-18-9-3-2-4-10-18)17-20-14-7-13-19-12-5-6-15-21(19)20/h2-15H,16-17H2,1H3 > OZGNYLLQHRPOBR-UHFFFAOYSA-N > C21H21N > 287.3981 > 287.167399677 > 1 > 43 > 0.9899035856823122 > 34.045457147272145 > 1 > 0 > 0 > 1 > methyl[(naphthalen-1-yl)methyl](3-phenylprop-2-en-1-yl)amine > 4.96 > 5.238508130333333 > -6.10 > 0 > 1 > 3 > 1 > 8.991425733353166 > 3.24 > 95.98210000000003 > 5 > 0 > 2.29e-04 g/l > tetrahydrofolic acid > 1 $$$$