25263223 -OEChem-10051721003D 62 65 0 1 0 0 0 0 0999 V2000 -6.1109 -0.0933 1.8851 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.3275 -1.3295 0.1058 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8809 0.1071 0.6244 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3196 2.1550 1.0875 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 1.2510 -0.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1836 2.2613 0.4027 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5251 -0.4642 -0.4681 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3381 -1.0836 -0.3438 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5764 2.5319 -0.8106 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6743 0.4044 0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1627 0.2668 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 -0.0440 1.5995 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9766 -0.6404 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5642 -2.2300 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7481 -1.3816 -0.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -2.3672 0.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -3.2947 0.7389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4616 -0.8186 0.8495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3874 -0.8365 -1.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9725 -1.0416 0.7651 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9009 -1.0579 -1.6586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1196 1.7739 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1399 0.2349 -0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 0.4317 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3925 -0.0803 -1.3371 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 1.1301 0.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7744 0.1063 -1.3086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5680 1.3167 0.7721 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3623 0.8048 -0.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8398 1.0028 -0.2233 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5436 -0.0904 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4858 1.0753 -1.6306 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7749 1.1587 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6556 -0.5644 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1805 -1.0822 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2906 0.6453 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2684 -1.6623 -0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3293 -0.5048 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 -2.5826 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 -2.4717 -0.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -2.7754 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6383 -1.6720 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -3.1757 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -4.3218 0.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0732 -1.2968 1.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 0.2551 0.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1998 0.2349 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9458 -1.3296 -2.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4268 -0.5751 1.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1853 -2.1174 0.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1176 -2.1327 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3068 -0.5936 -2.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2364 2.1724 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 3.4865 -0.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9513 -0.6076 -2.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 1.5289 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3553 -0.3196 -2.1197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0033 1.8540 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5300 1.4034 -1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9772 1.8153 -2.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 0.1101 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7033 2.9669 -0.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 6 30 1 0 0 0 0 6 62 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 9 22 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 15 18 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 M END > DB07316 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FAVXIEFZKPJZRT-NRFANRHFSA-N/SDF?record_type=3d > C[C@](O)(C1=CC=C(C=C1)C(=O)N(C1CC1)C1CCN(CC2(CC2)C(N)=O)CC1)C(F)(F)F > InChI=1S/C23H30F3N3O3/c1-21(32,23(24,25)26)16-4-2-15(3-5-16)19(30)29(17-6-7-17)18-8-12-28(13-9-18)14-22(10-11-22)20(27)31/h2-5,17-18,32H,6-14H2,1H3,(H2,27,31)/t21-/m0/s1 > FAVXIEFZKPJZRT-NRFANRHFSA-N > C23H30F3N3O3 > 453.4978 > 453.223926456 > 4 > 62 > 0.992348700865099 > 45.34673593166727 > 1 > 2 > 0 > 1 > N-{1-[(1-carbamoylcyclopropyl)methyl]piperidin-4-yl}-N-cyclopropyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide > 2.01 > 1.6992275921965876 > -4.01 > 1 > 1 > 4 > 1 > 15.96234752829652 > 10.704574253840295 > 9.124688108750298 > 86.87000000000002 > 114.046 > 8 > 1 > 4.42e-02 g/l > tetrahydrofolic acid > 0 $$$$