219077 -OEChem-10051720443D 83 87 0 1 0 0 0 0 0999 V2000 -1.0504 3.6351 2.7818 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 6.4312 1.1640 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.6273 -1.3483 1.9127 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3656 -3.4768 0.7435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -0.6508 -1.1777 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3647 0.1718 0.2939 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1373 -1.7013 1.6067 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5013 1.6650 -0.4854 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6556 -1.2087 0.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5341 0.5124 -0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4057 1.9788 -1.7194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4261 1.2257 0.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7421 -2.3098 -0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 0.0210 0.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5785 0.9280 -1.9637 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9314 -1.8361 -1.4993 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9708 0.4467 -0.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3503 -0.2252 -2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 0.8828 -2.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6383 2.8727 -0.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 0.5248 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8921 -0.8402 -0.5217 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 2.7507 1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7296 4.0703 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 -1.0463 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6911 -0.9484 2.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1076 -1.4652 -1.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7870 0.1162 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9719 -2.8212 1.7119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0027 3.8409 1.4261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9524 5.1602 -0.3613 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3222 -2.0766 0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0891 5.0456 0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2280 -1.1308 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9074 0.4504 -0.8116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4002 -3.2287 3.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1279 -0.1730 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -2.1257 1.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9539 -3.0004 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4976 -3.1050 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8605 -3.9797 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1324 -4.0320 -0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -0.3778 -1.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 0.1962 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0083 2.8711 -1.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 2.2269 -2.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8378 0.8903 1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0289 2.0751 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 -3.2155 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0274 -2.6392 0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9549 -0.1844 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 0.9001 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 1.1497 -2.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0137 1.8379 -1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2585 -2.6560 -1.7817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5538 -1.6384 -2.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 0.7876 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 1.3136 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.0607 -2.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0023 0.0841 -3.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0910 1.2283 -2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9111 -0.0067 -2.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8557 1.3801 -0.4956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9412 -0.2828 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 1.8182 1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3707 4.2186 -1.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9517 0.1095 2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6223 -1.1108 2.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1778 -1.2848 3.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -2.2590 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 0.6124 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0294 6.0911 -0.9178 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4084 -1.6262 -3.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6092 1.1949 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0163 -2.4474 3.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5288 -3.4519 3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0057 -4.1386 3.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0022 0.0846 -2.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 -1.4076 1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 -2.9669 -0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4880 -3.1455 1.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5765 -4.7013 -1.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8383 -4.7945 -0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 33 1 0 0 0 0 3 25 2 0 0 0 0 4 29 2 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 12 1 0 0 0 0 6 21 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 20 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 22 1 0 0 0 0 10 15 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 19 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 16 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 17 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 18 1 0 0 0 0 15 53 1 0 0 0 0 15 54 1 0 0 0 0 16 55 1 0 0 0 0 16 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 21 1 0 0 0 0 19 61 1 0 0 0 0 19 62 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 63 1 0 0 0 0 21 64 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 23 30 1 0 0 0 0 23 65 1 0 0 0 0 24 31 2 0 0 0 0 24 66 1 0 0 0 0 25 32 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 34 1 0 0 0 0 27 70 1 0 0 0 0 28 35 2 0 0 0 0 28 71 1 0 0 0 0 29 36 1 0 0 0 0 30 33 2 0 0 0 0 31 33 1 0 0 0 0 31 72 1 0 0 0 0 32 38 2 0 0 0 0 32 39 1 0 0 0 0 34 37 2 0 0 0 0 34 73 1 0 0 0 0 35 37 1 0 0 0 0 35 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 36 77 1 0 0 0 0 37 78 1 0 0 0 0 38 40 1 0 0 0 0 38 79 1 0 0 0 0 39 41 2 0 0 0 0 39 80 1 0 0 0 0 40 42 2 0 0 0 0 40 81 1 0 0 0 0 41 42 1 0 0 0 0 41 82 1 0 0 0 0 42 83 1 0 0 0 0 M END > DB04872 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DZOJBGLFWINFBF-UMSFTDKQSA-N/SDF?record_type=3d > CN(C(C)=O)C1(CCN(CCC[C@@]2(CCCN(C2)C(=O)C2=CC=CC=C2)C2=CC(Cl)=C(Cl)C=C2)CC1)C1=CC=CC=C1 > InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3/t34-/m0/s1 > DZOJBGLFWINFBF-UMSFTDKQSA-N > C35H41Cl2N3O2 > 606.625 > 605.257582985 > 3 > 83 > 0.9950282066502202 > 66.14022450357686 > 0 > 0 > 0 > 0 > N-(1-{3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl}-4-phenylpiperidin-4-yl)-N-methylacetamide > 6.47 > 6.269618918333333 > -6.60 > 1 > 1 > 5 > 1 > 9.301320770706942 > 43.86000000000001 > 172.7280999999999 > 8 > 0 > 1.54e-04 g/l > tetrahydrofolic acid > 0 $$$$