9853053 -OEChem-10051721303D 87 92 0 0 0 0 0 0 0999 V2000 8.2393 -1.3711 3.3416 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 -0.1555 3.5394 F 0 0 0 0 0 0 0 0 0 0 0 0 6.2947 -2.2230 2.8449 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.0123 -3.5826 -1.4503 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 -3.7654 -3.1140 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2787 -1.9196 -2.8260 F 0 0 0 0 0 0 0 0 0 0 0 0 5.8145 1.9096 1.3289 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1843 2.2892 -0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6748 3.1050 -0.9803 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2649 1.5814 0.6686 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9456 -0.3373 0.7344 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 0.9537 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4895 2.3753 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1967 2.4440 -0.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -0.0394 0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2349 0.3955 -1.3842 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3560 2.4912 0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6527 3.8736 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 3.9405 -1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1827 3.7574 0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7656 2.8064 -1.9185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2066 2.8734 0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 1.8891 -1.2775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7109 -1.0212 -0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4338 -0.7550 -1.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3552 0.9142 0.7752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5048 -0.0570 1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 0.8759 -2.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8132 -2.0293 -0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4345 -1.4325 -2.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 -1.0729 2.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0406 0.1927 -3.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -2.0494 1.2556 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2452 -0.9501 -3.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2148 -0.6332 1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6223 1.5583 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4280 0.5807 1.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0396 -1.0988 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1747 -0.7898 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4606 1.0660 1.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1085 -1.3232 0.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9541 -1.6748 1.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2399 0.1810 2.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9867 -1.1894 2.6543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0712 -2.0500 0.8662 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1197 -1.1088 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -2.5622 0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 -1.6209 -1.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0562 -2.3476 -1.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9589 -2.8944 -2.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2198 3.0695 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2995 2.7317 1.0261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4433 1.7881 -0.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3488 2.1118 -1.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9137 3.4027 -0.2358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 4.5156 -1.3547 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5508 4.2788 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0056 4.9816 -1.7199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 3.5813 -2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6411 4.7264 -0.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 3.9481 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2477 3.7303 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 2.2951 -2.8034 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 1.9685 1.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5972 3.3987 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6245 1.7108 -1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3536 0.9112 -1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7663 0.6945 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6565 1.7581 -2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8847 0.9291 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 -2.7911 -0.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8261 -2.3170 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 -1.1116 0.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1553 -1.1095 3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6627 0.5484 -4.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5507 -2.8303 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 -1.4657 -4.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6981 -1.4125 0.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8455 0.2612 1.3308 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6679 2.1316 2.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7799 -2.7478 1.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0438 0.5589 3.3366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5946 -1.8784 3.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 -2.2219 1.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -0.5588 -1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 -3.1232 0.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1116 -1.4503 -2.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 50 1 0 0 0 0 5 50 1 0 0 0 0 6 50 1 0 0 0 0 7 26 2 0 0 0 0 8 36 2 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 17 1 0 0 0 0 10 36 1 0 0 0 0 10 70 1 0 0 0 0 11 26 1 0 0 0 0 11 35 1 0 0 0 0 11 73 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 14 18 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 24 1 0 0 0 0 15 27 2 0 0 0 0 16 25 1 0 0 0 0 16 28 2 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 55 1 0 0 0 0 18 19 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 19 58 1 0 0 0 0 19 59 1 0 0 0 0 20 22 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 23 1 0 0 0 0 21 62 1 0 0 0 0 21 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 66 1 0 0 0 0 23 67 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 30 2 0 0 0 0 27 31 1 0 0 0 0 27 68 1 0 0 0 0 28 32 1 0 0 0 0 28 69 1 0 0 0 0 29 33 1 0 0 0 0 29 71 1 0 0 0 0 30 34 1 0 0 0 0 30 72 1 0 0 0 0 31 33 2 0 0 0 0 31 74 1 0 0 0 0 32 34 2 0 0 0 0 32 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 35 38 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 37 1 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 39 41 1 0 0 0 0 39 42 2 0 0 0 0 40 43 1 0 0 0 0 40 80 1 0 0 0 0 41 45 2 0 0 0 0 41 46 1 0 0 0 0 42 44 1 0 0 0 0 42 81 1 0 0 0 0 43 44 2 0 0 0 0 43 82 1 0 0 0 0 44 83 1 0 0 0 0 45 47 1 0 0 0 0 45 84 1 0 0 0 0 46 48 2 0 0 0 0 46 85 1 0 0 0 0 47 49 2 0 0 0 0 47 86 1 0 0 0 0 48 49 1 0 0 0 0 48 87 1 0 0 0 0 49 50 1 0 0 0 0 M END > DB08827 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MBBCVAKAJPKAKM-UHFFFAOYSA-N/SDF?record_type=3d > FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)C2=C(C=CC=C2)C2=CC=C(C=C2)C(F)(F)F)C2=CC=CC=C2C2=CC=CC=C12 > InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49) > MBBCVAKAJPKAKM-UHFFFAOYSA-N > C39H37F6N3O2 > 693.7204 > 693.278996673 > 3 > 87 > 0.9912189322600033 > 68.1332452598211 > 0 > 2 > 0 > 0 > N-(2,2,2-trifluoroethyl)-9-(4-{4-[4'-(trifluoromethyl)-[1,1'-biphenyl]-2-amido]piperidin-1-yl}butyl)-9H-fluorene-9-carboxamide > 7.19 > 7.904654486999999 > -6.89 > 1 > 1 > 6 > 1 > 15.56212288345403 > 12.265905066296796 > 9.052892350958397 > 61.440000000000005 > 181.7272999999999 > 12 > 0 > 8.88e-05 g/l > tetrahydrofolic acid > 0 $$$$