49839808 -OEChem-05142412492D 74 79 0 0 0 0 0 0 0999 V2000 13.3385 2.5792 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.2500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.5179 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9221 5.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6160 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9221 3.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 4.1887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2882 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2882 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4221 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9221 3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2617 3.6511 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0761 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8987 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8987 4.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0761 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.2237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.5334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.0084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.0334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.1986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2321 2.8470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 5.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 4.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 33 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 31 1 0 0 0 0 5 16 2 0 0 0 0 6 36 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 21 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 8 22 1 0 0 0 0 9 16 1 0 0 0 0 9 25 1 0 0 0 0 9 61 1 0 0 0 0 10 25 2 0 0 0 0 10 32 1 0 0 0 0 11 30 1 0 0 0 0 11 36 1 0 0 0 0 11 68 1 0 0 0 0 12 33 1 0 0 0 0 12 35 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 17 19 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 26 28 1 0 0 0 0 26 31 1 0 0 0 0 27 29 2 0 0 0 0 27 65 1 0 0 0 0 28 30 2 0 0 0 0 28 66 1 0 0 0 0 29 30 1 0 0 0 0 29 67 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 37 2 0 0 0 0 34 69 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 37 70 1 0 0 0 0 38 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 40 42 1 0 0 0 0 40 71 1 0 0 0 0 41 43 2 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 M END > 49839808 > 1 > 970 > 10 > 2 > 8 > AAADceB7sYBAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgB/AAAHwQQAAAADQjB3hQz0bPIEAisAyVydACD8K1lGjkJmDU4dNiIYPLgnZGUIQholQLIyacYiMCOyAAAQAAQAACQAACAACAAAAAAAAAAAA== > 4-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 4-[2-[[cyclopropyl(oxo)methyl]amino]-5-thiazolo[5,4-b]pyridinyl]-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 4-[2-(cyclopropylcarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 4-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]benzamide > InChI=1S/C31H31F3N6O2S/c1-2-39-13-15-40(16-14-39)18-22-9-10-23(17-24(22)31(32,33)34)35-27(41)20-5-3-19(4-6-20)25-11-12-26-29(36-25)43-30(37-26)38-28(42)21-7-8-21/h3-6,9-12,17,21H,2,7-8,13-16,18H2,1H3,(H,35,41)(H,37,38,42) > XXXWJQZIXCXBDS-UHFFFAOYSA-N > 5 > 608.21812991 > C31H31F3N6O2S > 608.7 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=NC5=C(C=C4)N=C(S5)NC(=O)C6CC6)C(F)(F)F > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C4=NC5=C(C=C4)N=C(S5)NC(=O)C6CC6)C(F)(F)F > 119 > 608.21812991 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 33 8 10 25 8 10 32 8 12 33 8 12 35 8 23 26 8 23 27 8 26 28 8 27 29 8 28 30 8 29 30 8 32 33 8 32 34 8 34 37 8 35 37 8 38 40 8 38 41 8 39 42 8 39 43 8 40 42 8 41 43 8 $$$$