8669 -OEChem-10061700323D 44 46 0 0 0 0 0 0 0999 V2000 5.3292 1.8804 -1.5382 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.7615 1.7342 0.5402 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 1.9699 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1294 1.9006 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5658 3.1707 -1.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 3.1272 -0.8438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5397 0.4245 1.1349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 0.2798 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 -0.6664 1.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1661 -0.8004 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 -1.7020 0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2139 -0.1252 0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -1.4741 -1.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2285 -2.8662 0.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8372 -0.8471 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5303 1.2021 1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 -2.4485 -1.9497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6224 -3.8407 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 -0.2242 -0.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4978 1.8251 0.4495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -3.6317 -1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1352 1.1120 -0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9265 1.1216 -1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8702 2.1906 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8440 2.0558 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4584 1.0384 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4742 3.1256 -2.3804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 4.1051 -0.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2676 4.0384 -0.2851 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7075 3.0630 -1.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8289 -0.3693 0.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1972 0.3172 2.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8187 1.0203 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 -0.3701 2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 -1.8579 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 -0.5568 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -3.0397 1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5926 -1.8896 -0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0386 1.7662 2.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 -2.2856 -3.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -4.7621 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2942 -0.7926 -1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 2.8668 0.6376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7367 -4.3905 -2.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 7 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 6 1 0 0 0 0 4 25 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 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 37 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 16 20 2 0 0 0 0 16 39 1 0 0 0 0 17 21 2 0 0 0 0 17 40 1 0 0 0 0 18 21 1 0 0 0 0 18 41 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 21 44 1 0 0 0 0 M END > DB13846 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WDYYVNNRTDZKAZ-UHFFFAOYSA-N/SDF?record_type=3d > ClC1=CC=C(CC(=CCN2CCCC2)C2=CC=CC=C2)C=C1 > InChI=1S/C20H22ClN/c21-20-10-8-17(9-11-20)16-19(18-6-2-1-3-7-18)12-15-22-13-4-5-14-22/h1-3,6-12H,4-5,13-16H2 > WDYYVNNRTDZKAZ-UHFFFAOYSA-N > C20H22ClN > 311.85 > 311.1440774 > 1 > 44 > 35.67466229197603 > 1 > 0 > 0 > 1 > 1-[4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine > 5.35 > 5.412167641999999 > -5.26 > 0 > 3 > 1 > 8.909880536856198 > 3.24 > 96.24310000000001 > 5 > 0 > 1.71e-03 g/l > 1-[4-(4-chlorophenyl)-3-phenylbut-2-en-1-yl]pyrrolidine > 1 $$$$