56842069 -OEChem-10051722453D 73 77 0 1 0 0 0 0 0999 V2000 3.7446 -4.7356 1.4121 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 -4.1895 -0.4128 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6663 -5.0893 -0.5253 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.4051 -2.1284 0.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0103 -2.3524 -1.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2104 2.4200 -1.8715 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 0.0325 -0.4792 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3049 1.5523 0.1176 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2073 0.8340 -1.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6369 -0.6390 -1.0665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1251 1.6960 -0.2696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5988 1.4546 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1281 -0.7970 -1.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3689 -0.1727 -0.7497 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7412 1.0255 -0.8127 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2333 0.6077 0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2679 0.6914 0.4562 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 1.5355 -1.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6458 -1.6665 -0.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 0.8670 0.7661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4826 1.7113 -1.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7878 0.8408 1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4752 1.0933 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9559 1.3770 -0.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5840 1.5594 2.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2716 1.8120 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8259 2.0450 2.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6063 -3.5319 0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3229 2.0466 -0.7087 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6653 2.1427 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3192 1.0208 0.4317 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 3.3969 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7142 -0.2955 0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5785 1.1531 1.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5305 3.5293 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 2.4074 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4576 -1.0032 1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3882 -0.8538 -0.8684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5496 -2.8275 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8754 -2.2691 1.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -2.1199 -0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -4.1811 0.1783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.1562 -2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -1.2400 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 -1.0498 -0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 1.4804 0.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8879 2.7579 -0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1721 2.1110 0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7923 1.8038 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3142 -0.5401 -2.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3378 -1.8656 -1.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5999 0.1593 -1.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9311 0.2925 1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 1.8001 -2.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4364 0.6015 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0962 2.1103 -2.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8391 0.4562 1.8828 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8346 0.9167 -1.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2401 1.7358 3.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2389 2.1895 0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5637 1.3042 1.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4466 2.6033 2.6956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6481 -3.7968 0.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9283 -4.1033 0.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 -3.7660 1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 4.2803 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1105 0.2920 1.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0022 4.5059 0.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1654 2.5105 1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6967 -0.5832 2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5929 -0.3288 -1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6821 -2.8030 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 -2.5480 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 1 42 1 0 0 0 0 2 42 1 0 0 0 0 3 42 1 0 0 0 0 4 19 1 0 0 0 0 4 28 1 0 0 0 0 5 19 2 0 0 0 0 6 29 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 24 1 0 0 0 0 8 29 1 0 0 0 0 8 61 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 9 43 1 0 0 0 0 10 13 1 0 0 0 0 10 44 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 52 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 22 2 0 0 0 0 16 23 1 0 0 0 0 17 20 1 0 0 0 0 17 53 1 0 0 0 0 18 21 2 0 0 0 0 18 54 1 0 0 0 0 20 24 2 0 0 0 0 20 55 1 0 0 0 0 21 24 1 0 0 0 0 21 56 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 23 26 2 0 0 0 0 23 58 1 0 0 0 0 25 27 2 0 0 0 0 25 59 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 1 0 0 0 0 31 34 2 0 0 0 0 32 35 1 0 0 0 0 32 66 1 0 0 0 0 33 37 2 0 0 0 0 33 38 1 0 0 0 0 34 36 1 0 0 0 0 34 67 1 0 0 0 0 35 36 2 0 0 0 0 35 68 1 0 0 0 0 36 69 1 0 0 0 0 37 40 1 0 0 0 0 37 70 1 0 0 0 0 38 41 2 0 0 0 0 38 71 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 40 72 1 0 0 0 0 41 73 1 0 0 0 0 M END > DB12414 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WSYALRNYQFNNGP-WJOKGBTCSA-N/SDF?record_type=3d > COC(=O)[C@H](N1CCC(CC1)C1=CC=C(NC(=O)C2=CC=CC=C2C2=CC=C(C=C2)C(F)(F)F)C=C1)C1=CC=CC=C1 > InChI=1S/C34H31F3N2O3/c1-42-33(41)31(26-7-3-2-4-8-26)39-21-19-24(20-22-39)23-13-17-28(18-14-23)38-32(40)30-10-6-5-9-29(30)25-11-15-27(16-12-25)34(35,36)37/h2-18,24,31H,19-22H2,1H3,(H,38,40)/t31-/m1/s1 > WSYALRNYQFNNGP-WJOKGBTCSA-N > C34H31F3N2O3 > 572.628 > 572.228677355 > 3 > 73 > 59.87541306622359 > 0 > 1 > 0 > 0 > methyl (2R)-2-phenyl-2-(4-{4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]phenyl}piperidin-1-yl)acetate > 6.35 > 7.638624085 > -6.91 > 1 > 5 > 1 > 14.086323820839016 > 7.032491583229783 > 58.64 > 158.62869999999998 > 9 > 0 > 6.97e-05 g/l > (R)-(methyl phenyl(4-{4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]phenyl}piperidin-1-yl)acetate) > 0 $$$$