71225 -OEChem-06141815593D 55 56 0 1 0 0 0 0 0999 V2000 0.8353 2.8890 0.0337 N 0 0 2 0 0 0 0 0 0 0 0 0 -4.5393 0.6958 1.7157 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7318 0.1619 -0.1510 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4842 -0.0012 -1.5397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7644 1.3986 -0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 1.7554 1.1278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9157 -1.1213 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2182 3.0196 1.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2217 1.2640 -2.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4781 -1.1782 -1.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7467 0.4534 0.9024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 -1.8229 1.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9551 -1.4846 -0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 1.7489 0.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7384 1.5349 -0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 4.1187 -0.0461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4637 -2.9799 1.5294 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2195 -2.6418 -0.5138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 -3.3895 0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 0.3492 -0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7927 0.5347 0.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 -0.9073 -0.9188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -0.5620 0.5279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0673 -2.0040 -0.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2475 -1.8314 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 -0.2115 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 1.2538 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 2.2920 -0.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5213 0.9056 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8476 1.9684 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 3.2390 2.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8732 3.8605 0.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5260 2.0767 -2.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 1.6189 -1.2718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7721 1.0639 -2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3001 -1.0261 -0.8507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 -1.2910 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9903 -2.1273 -1.3173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9547 -1.5514 1.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -0.9172 -1.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1325 0.8157 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1943 1.8777 1.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2422 1.3904 -1.7292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3949 2.4033 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 4.2689 0.8363 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 4.1470 -0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 4.9908 -0.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6611 -3.5627 2.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5501 -2.9627 -1.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0989 -4.2904 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0827 1.5186 0.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3357 -1.0493 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5286 -0.4278 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7850 -2.9922 -0.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8839 -2.6854 0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 11 3 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 8 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 12 17 1 0 0 0 0 12 39 1 0 0 0 0 13 18 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 20 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 19 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 51 1 0 0 0 0 22 24 2 0 0 0 0 22 52 1 0 0 0 0 23 25 2 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 M END > DB14064 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DWAWDSVKAUWFHC-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)C(CCCN(C)CCC1=CC=CC=C1)(C#N)C1=CC=CC=C1 > InChI=1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3 > DWAWDSVKAUWFHC-UHFFFAOYSA-N > C23H30N2 > 334.4977 > 334.24089897 > 2 > 55 > 40.65203518413459 > 1 > 0 > 0 > 0 > 5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile > 5.41 > 5.673870883666666 > -4.91 > 0 > 2 > 1 > 9.758168814824385 > 27.03 > 106.79509999999999 > 9 > 0 > 4.16e-03 g/l > emopamil > 1 $$$$