156297592 -OEChem-03032319003D 71 74 0 1 0 0 0 0 0999 V2000 8.8437 0.0743 0.6378 F 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -1.6794 -0.5827 F 0 0 0 0 0 0 0 0 0 0 0 0 10.4747 0.1441 -0.8081 F 0 0 0 0 0 0 0 0 0 0 0 0 4.2799 0.4009 1.8708 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2968 -4.5174 -0.5199 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8621 4.3209 0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8171 0.1728 -0.3493 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5686 0.2723 0.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7978 -2.1542 -0.2598 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 0.1946 -0.5505 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7919 2.5607 -0.8263 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8576 -0.3221 -1.4252 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8650 0.1913 -2.4696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2552 0.1775 -0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 0.0393 -1.7741 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2770 0.1634 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9012 0.2941 0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2287 -0.3314 -0.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 0.3722 1.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6836 -2.3462 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1094 -2.9664 0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 0.4045 1.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 0.3066 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1754 -0.9108 -0.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 0.3328 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5285 0.5360 2.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8625 -3.8342 -1.6935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3188 -4.4200 0.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 0.5683 2.6825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9318 -0.8957 0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3857 0.6340 3.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9249 1.4924 0.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1688 1.3705 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0707 2.5685 -1.4583 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0807 0.6776 3.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6831 3.9638 -1.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9035 2.1444 -2.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8327 -1.4205 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9118 -0.3620 -3.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0501 1.2504 -2.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4948 -0.4633 0.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5454 1.2082 0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8024 0.7990 -2.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0916 -0.9560 -1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6268 -0.1805 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3060 1.2594 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3811 0.1509 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2746 -1.8641 -2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6573 -1.8921 -1.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0277 -2.5753 1.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3181 -2.9221 1.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.1786 -0.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9298 -4.2861 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6205 -3.9804 -2.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6749 -5.0003 1.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3816 -4.8758 0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4672 0.6012 3.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -1.8116 0.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4977 0.7626 4.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 2.4632 0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7488 1.8747 -0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 3.3506 -0.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6846 1.5491 3.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8012 0.7995 4.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6934 -0.2275 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6616 3.9917 -1.8467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0377 4.7168 -1.8219 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2162 2.8109 -3.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8663 2.1674 -3.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5076 1.1274 -2.9983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2562 5.2098 0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 18 1 0 0 0 0 4 17 2 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 36 1 0 0 0 0 6 71 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 47 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 10 33 2 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 62 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 27 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 28 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 22 29 2 0 0 0 0 23 52 1 0 0 0 0 24 30 2 0 0 0 0 25 30 1 0 0 0 0 25 32 2 0 0 0 0 26 31 2 0 0 0 0 26 57 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 34 61 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 68 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 M END > DB17582 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GZMYLSJUNSCMTD-MOPGFXCFSA-N/SDF?record_type=3d > C[C@H](CO)NC1=CC(=CC(=N1)N1CCOCC1)C1=CC(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)=CC=C1C > InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1 > GZMYLSJUNSCMTD-MOPGFXCFSA-N > C26H34F3N5O3 > 521.585 > 521.261374464 > 6 > 71 > 0.9892961024973731 > 54.531830001167954 > 1 > 3 > 0 > 0 > (3S)-N-[3-(2-{[(2R)-1-hydroxypropan-2-yl]amino}-6-(morpholin-4-yl)pyridin-4-yl)-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide > 3.950947218666667 > 1 > 1 > 4 > 1 > 15.129391911423218 > 13.639869151222662 > 7.96580212161231 > 89.96 > 139.84350000000003 > 8 > 0 > 4-amino-N-{1-[(3-chloro-2-fluorophenyl)amino]-6-methylisoquinolin-5-yl}thieno[3,2-d]pyrimidine-7-carboxamide > 0 $$$$