49839810 -OEChem-05102410292D 65 69 0 0 0 0 0 0 0999 V2000 9.8744 4.1953 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.1340 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 5.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -2.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -5.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -5.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -4.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 1 38 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 26 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 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 24 1 0 0 0 0 8 26 1 0 0 0 0 8 57 1 0 0 0 0 9 31 2 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 38 2 0 0 0 0 11 38 1 0 0 0 0 11 64 1 0 0 0 0 11 65 1 0 0 0 0 12 14 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 41 1 0 0 0 0 13 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 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 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 2 0 0 0 0 18 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 22 1 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 54 1 0 0 0 0 22 24 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 30 2 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 33 1 0 0 0 0 30 59 1 0 0 0 0 31 34 1 0 0 0 0 32 33 2 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 34 37 2 0 0 0 0 34 62 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 63 1 0 0 0 0 M END > 49839810 > 1 > 797 > 10 > 2 > 6 > AAADceB7oYBAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB/AAAHwQQAAAADAjB3hQz0bPIEAisAyVydACD8K1lGjkImDU4dNiIYPLglZGUIQhglALIyacYicCeiAACQAAQAAAQAASAACAAAAAAAAAAAA== > 3-(2-aminothiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 3-(2-amino-5-thiazolo[5,4-b]pyridinyl)-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 3-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 3-(2-azanyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide > 3-(2-aminothiazolo[5,4-b]pyridin-5-yl)-N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]benzamide > InChI=1S/C27H27F3N6OS/c1-2-35-10-12-36(13-11-35)16-19-6-7-20(15-21(19)27(28,29)30)32-24(37)18-5-3-4-17(14-18)22-8-9-23-25(33-22)38-26(31)34-23/h3-9,14-15H,2,10-13,16H2,1H3,(H2,31,34)(H,32,37) > WTHKDEWRPCCPQH-UHFFFAOYSA-N > 4.7 > 540.19191517 > C27H27F3N6OS > 540.6 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=NC5=C(C=C4)N=C(S5)N)C(F)(F)F > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=NC5=C(C=C4)N=C(S5)N)C(F)(F)F > 116 > 540.19191517 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 35 8 1 38 8 10 36 8 10 38 8 18 20 8 18 21 8 20 22 8 21 23 8 22 24 8 23 24 8 27 28 8 27 30 8 28 29 8 29 32 8 30 33 8 31 34 8 32 33 8 34 37 8 35 36 8 36 37 8 9 31 8 9 35 8 $$$$