10218693 -OEChem-11212212123D 75 78 0 1 0 0 0 0 0999 V2000 -3.1571 2.6799 -2.3747 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 3.2209 -0.4141 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.6608 4.2832 -1.6613 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.1542 2.2118 -2.1020 F 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 -0.1937 -1.2069 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9596 3.4910 0.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2157 2.5431 1.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5286 0.4611 0.1646 N 0 0 2 0 0 0 0 0 0 0 0 0 0.9336 0.4936 0.1376 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0291 -0.6673 -0.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -1.9873 0.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 1.1312 -1.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0768 1.7187 -0.3418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 1.2740 1.3536 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0505 -3.2393 -0.6778 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0004 -2.0356 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9767 1.1395 -1.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4791 1.9581 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7485 -3.2114 -1.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2752 -2.5508 1.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4211 -4.4132 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6623 -1.5643 2.5875 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4939 2.3959 -0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 1.7295 1.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 2.6054 -0.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 -4.3571 -2.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2115 -2.5947 2.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4894 -5.5588 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5986 -1.6083 3.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0362 1.9390 1.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0511 2.3769 1.1471 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 -5.5308 -2.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8732 -2.1233 3.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7295 -0.3616 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8981 3.0733 -1.0766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6832 0.6451 -0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 -1.5394 -0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9662 0.4741 -0.3281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3422 -1.7103 0.4937 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2957 -0.7036 0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9852 1.5513 -0.4866 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 2.5541 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3469 -0.5157 0.2356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 -0.4955 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4838 -0.7701 -1.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0134 -2.0549 0.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1522 2.1785 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0719 0.5867 -2.0294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5231 2.5907 0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0101 1.7440 -1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 1.1188 1.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9389 0.9261 2.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2627 2.3524 1.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 1.5695 -2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3865 1.7772 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -2.3221 -2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -2.9052 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1248 -4.4500 0.6758 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 -1.1628 2.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 1.4160 2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -4.3370 -3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2062 -2.9900 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0001 -6.4728 -0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3356 -1.2404 4.6079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2458 1.7661 3.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0440 2.5337 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2415 -6.4231 -2.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6029 -2.1555 4.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 1.5615 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3197 -2.3263 0.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5983 -2.6269 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 -0.8482 0.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9861 1.1074 -0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8117 2.0965 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9599 4.1400 1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 35 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 6 42 1 0 0 0 0 6 75 1 0 0 0 0 7 42 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 43 1 0 0 0 0 10 11 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 46 1 0 0 0 0 12 17 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 18 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 19 2 0 0 0 0 15 21 1 0 0 0 0 16 20 2 0 0 0 0 16 22 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 26 1 0 0 0 0 19 56 1 0 0 0 0 20 27 1 0 0 0 0 20 57 1 0 0 0 0 21 28 2 0 0 0 0 21 58 1 0 0 0 0 22 29 2 0 0 0 0 22 59 1 0 0 0 0 23 25 1 0 0 0 0 24 30 2 0 0 0 0 24 60 1 0 0 0 0 25 31 2 0 0 0 0 25 35 1 0 0 0 0 26 32 2 0 0 0 0 26 61 1 0 0 0 0 27 33 2 0 0 0 0 27 62 1 0 0 0 0 28 32 1 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 33 68 1 0 0 0 0 34 36 1 0 0 0 0 34 37 2 0 0 0 0 36 38 2 0 0 0 0 36 69 1 0 0 0 0 37 39 1 0 0 0 0 37 70 1 0 0 0 0 38 40 1 0 0 0 0 38 41 1 0 0 0 0 39 40 2 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 41 42 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 M END > DB17146 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZLJZDYOBXVOTSA-XMMPIXPASA-N/SDF?record_type=3d > C[C@H](CCOC1=CC(CC(O)=O)=CC=C1)N(CC(C1=CC=CC=C1)C1=CC=CC=C1)CC1=C(Cl)C(=CC=C1)C(F)(F)F > InChI=1S/C34H33ClF3NO3/c1-24(18-19-42-29-16-8-10-25(20-29)21-32(40)41)39(22-28-15-9-17-31(33(28)35)34(36,37)38)23-30(26-11-4-2-5-12-26)27-13-6-3-7-14-27/h2-17,20,24,30H,18-19,21-23H2,1H3,(H,40,41)/t24-/m1/s1 > ZLJZDYOBXVOTSA-XMMPIXPASA-N > C34H33ClF3NO3 > 596.09 > 595.2101061 > 4 > 75 > 0.9999153572065174 > 58.96198312656455 > 0 > 1 > 0 > 0 > 2-{3-[(3R)-3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)butoxy]phenyl}acetic acid > 7.94 > 5.935412135771261 > -6.83 > 1 > 0 > 4 > 0 > 3.7425542314107063 > 8.794385392996563 > 49.77 > 160.4574 > 14 > 0 > 8.81e-05 g/l > {3-[(3R)-3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)butoxy]phenyl}acetic acid > 0 $$$$