24775005 -OEChem-10051722043D 61 64 0 1 0 0 0 0 0999 V2000 6.9361 -3.0793 -0.0348 F 0 0 0 0 0 0 0 0 0 0 0 0 9.0951 -3.1935 0.2837 F 0 0 0 0 0 0 0 0 0 0 0 0 8.3341 -2.6764 -1.6984 F 0 0 0 0 0 0 0 0 0 0 0 0 -9.1132 -1.4606 0.1127 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 0.7094 1.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1702 -1.1541 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4720 -0.5566 -0.1887 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3740 -0.2739 0.8692 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2901 1.3392 -0.3227 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0449 -2.4134 0.1159 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.8413 -0.3856 -0.7920 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7582 -1.7521 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5933 0.3777 -0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4562 -3.5682 1.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0621 0.5239 -0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1578 -0.0794 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7417 0.5691 -1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4373 1.0489 -1.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6007 0.8680 -0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1125 0.2061 0.7921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9853 1.8703 0.3918 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1630 1.1232 0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 1.7446 0.0913 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 1.2390 0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6188 0.9935 0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0235 3.2387 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 3.1131 -0.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1113 -0.3460 0.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2396 3.8601 -0.1597 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3742 0.8584 1.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0573 0.4074 -1.1207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 0.1373 1.2091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 -0.3136 -1.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0064 -0.4487 0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1198 -2.5262 -0.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9075 -2.7942 -0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6916 -0.7991 -1.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9355 -2.4749 0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8664 -1.4509 1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7719 0.8581 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3736 1.1691 -1.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3837 -4.0238 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6805 -4.3390 1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6566 -3.2190 2.0376 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9196 1.3649 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9489 -0.0368 -1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2780 0.9166 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3890 0.6978 -2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 1.5590 -2.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 0.0088 1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0070 1.8116 -1.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 3.8360 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3561 3.6150 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9108 -0.9112 0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1877 -0.8004 0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 -0.5175 1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 4.9258 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0464 1.3084 2.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4811 0.5043 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1516 0.0346 2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5840 -0.7595 -2.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 35 1 0 0 0 0 3 35 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 24 2 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 16 2 0 0 0 0 8 20 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 51 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 49 1 0 0 0 0 19 20 2 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 23 27 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 29 1 0 0 0 0 26 52 1 0 0 0 0 27 29 2 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 34 2 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 M END > DB09143 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VZZJRYRQSPEMTK-CALCHBBNSA-N/SDF?record_type=3d > [H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1 > InChI=1S/C26H26F3N3O3/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+ > VZZJRYRQSPEMTK-CALCHBBNSA-N > C26H26F3N3O3 > 485.507 > 485.192626198 > 5 > 61 > 49.90980661840627 > 1 > 1 > 0 > 0 > N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide > 5.64 > 6.756367518666668 > -5.50 > 1 > 4 > 0 > 14.212893179004677 > 5.4513234436618285 > 63.69 > 125.3365 > 6 > 0 > 1.55e-03 g/l > N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide > 0 $$$$