4418 -OEChem-10051722403D 57 60 0 1 0 0 0 0 0999 V2000 -2.7073 4.0697 -0.8202 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4854 1.5352 0.0177 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 -0.1462 -1.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0167 1.5857 -0.4203 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5800 0.5099 0.2364 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7711 0.8076 -1.4109 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9431 2.3402 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 -0.1835 -0.7267 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8944 1.4006 1.1777 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 2.4899 -1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 3.2433 -0.0843 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7746 -0.1130 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6115 2.3203 0.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 -0.4389 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0158 -0.4343 1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9570 -1.0593 0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2022 -1.0549 2.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1727 -1.3674 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7909 0.2836 0.4815 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4808 -0.8639 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8174 -2.1358 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4224 0.1847 1.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6254 -0.5024 -2.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8448 -0.7801 -1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 -2.2198 1.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7532 -1.0662 2.2326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5081 -3.2865 -0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 -1.9338 -2.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 -3.1847 -1.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0837 0.2398 -2.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 1.4716 -2.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5253 3.0564 -0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4194 2.9059 1.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2755 -0.7139 -1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1296 -0.9434 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 2.0150 1.7267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3288 0.8074 1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5580 1.9542 -1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 3.2246 -1.7022 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2088 3.9324 0.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 1.6941 1.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2331 2.9241 1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 -0.2196 2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2477 4.5590 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7556 -1.3324 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3694 -1.2978 3.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0957 -1.8514 1.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6727 1.0730 2.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -1.5864 -2.5807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3044 -0.1973 -3.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5494 0.0444 -2.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6049 0.1747 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7215 -3.1871 1.9273 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2473 -1.1450 3.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 -4.2746 -0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 -1.8547 -3.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6443 -4.0823 -2.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 44 1 0 0 0 0 2 13 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 13 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 24 2 0 0 0 0 21 25 1 0 0 0 0 21 27 2 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 28 1 0 0 0 0 24 52 1 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 54 1 0 0 0 0 27 29 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END > DB12092 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HRRBJVNMSRJFHQ-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=CC=C1N1CCN(CC(O)COC2=CC=CC3=CC=CC=C23)CC1 > InChI=1S/C24H28N2O3/c1-28-24-11-5-4-10-22(24)26-15-13-25(14-16-26)17-20(27)18-29-23-12-6-8-19-7-2-3-9-21(19)23/h2-12,20,27H,13-18H2,1H3 > HRRBJVNMSRJFHQ-UHFFFAOYSA-N > C24H28N2O3 > 392.499 > 392.20999277 > 5 > 57 > 44.365988942269674 > 1 > 1 > 0 > 1 > 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(naphthalen-1-yloxy)propan-2-ol > 3.65 > 3.7739294096666676 > -3.75 > 1 > 4 > 1 > 14.078878615797251 > 7.3476454502236175 > 45.17 > 115.96479999999997 > 7 > 1 > 6.99e-02 g/l > naftopidil > 0 $$$$