49839584 -OEChem-04192406152D 77 82 0 0 0 0 0 0 0999 V2000 9.8744 3.8292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8660 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -1.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -3.2320 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 6.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4580 4.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8744 5.4387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.6340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9580 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9580 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4580 4.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7976 6.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6120 4.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4346 4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4346 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6120 6.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.8911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -4.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.4486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -3.9737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -3.2834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -5.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -5.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -3.2584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.9486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 4.0970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -5.4737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -4.7834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 -6.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -6.9860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -6.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.4440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.9440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 5.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 5.1340 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 37 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 60 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 37 1 0 0 0 0 11 69 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 45 1 0 0 0 0 14 15 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 17 19 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 20 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 54 1 0 0 0 0 19 55 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 23 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 22 24 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 26 2 0 0 0 0 23 27 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 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 66 1 0 0 0 0 28 30 2 0 0 0 0 28 67 1 0 0 0 0 29 30 1 0 0 0 0 29 68 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 38 2 0 0 0 0 34 70 1 0 0 0 0 35 36 1 0 0 0 0 35 38 1 0 0 0 0 36 40 1 0 0 0 0 36 41 2 0 0 0 0 37 39 1 0 0 0 0 38 71 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 72 1 0 0 0 0 41 43 1 0 0 0 0 41 44 1 0 0 0 0 42 43 2 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 44 75 1 0 0 0 0 44 76 1 0 0 0 0 44 77 1 0 0 0 0 M END > 49839584 > 1 > 1010 > 10 > 2 > 8 > AAADcfB/sYBAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgB/AAAHwQQAAAADQjB3hQz0bPIEAisAyVydACD8K1lGjkJmDU4dNiIYPLgnZGUIQholQLIyacYicCeyAACQAAQAACQAASAACAAAAAAAAAAAA== > 3-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-benzamide > 3-[2-[[cyclopropyl(oxo)methyl]amino]-5-thiazolo[5,4-b]pyridinyl]-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide > 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide > 3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide > 3-[2-(cyclopropylcarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-benzamide > 3-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]-N-[4-[(4-ethylpiperazino)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-benzamide > InChI=1S/C32H33F3N6O2S/c1-3-40-12-14-41(15-13-40)18-22-8-9-23(17-25(22)32(33,34)35)36-29(43)21-5-4-19(2)24(16-21)26-10-11-27-30(37-26)44-31(38-27)39-28(42)20-6-7-20/h4-5,8-11,16-17,20H,3,6-7,12-15,18H2,1-2H3,(H,36,43)(H,38,39,42) > KBMWVCCFUJDZOP-UHFFFAOYSA-N > 5.4 > 622.23377998 > C32H33F3N6O2S > 622.7 > CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)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)C)C4=NC5=C(C=C4)N=C(S5)NC(=O)C6CC6)C(F)(F)F > 119 > 622.23377998 > 0 > 44 > 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 38 8 35 38 8 36 40 8 36 41 8 39 40 8 39 42 8 41 43 8 42 43 8 $$$$