49838749 -OEChem-05122413282D 72 77 0 0 0 0 0 0 0999 V2000 12.4725 3.6392 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0560 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -3.4220 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -1.6900 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 6.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0561 4.4440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.4725 5.2487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 3.4440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5561 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 4.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4221 5.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5561 5.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0561 4.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 4.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3956 5.9089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2101 4.2274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0327 4.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0327 5.9177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2101 6.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -4.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -4.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.9734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -4.1386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -3.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3661 3.9070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.4734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.1637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -5.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -4.9484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.7460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 6.0640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 5.2540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.1340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.5640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 3.7540 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 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 17 2 0 0 0 0 6 24 1 0 0 0 0 6 65 1 0 0 0 0 7 34 2 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 10 17 1 0 0 0 0 10 25 1 0 0 0 0 10 57 1 0 0 0 0 11 25 2 0 0 0 0 11 31 1 0 0 0 0 12 34 1 0 0 0 0 12 37 1 0 0 0 0 12 66 1 0 0 0 0 13 33 1 0 0 0 0 13 36 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 18 20 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 21 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 60 1 0 0 0 0 24 61 1 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 29 1 0 0 0 0 27 63 1 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 30 2 0 0 0 0 29 34 1 0 0 0 0 30 64 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 35 38 2 0 0 0 0 35 67 1 0 0 0 0 36 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 1 0 0 0 0 37 41 2 0 0 0 0 38 68 1 0 0 0 0 39 40 2 0 0 0 0 39 42 1 0 0 0 0 40 69 1 0 0 0 0 41 43 1 0 0 0 0 41 70 1 0 0 0 0 42 43 2 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 M END > 49838749 > 1 > 981 > 11 > 3 > 8 > AAADceB7sYBAAAAAAAAAAAAAGAAAAWAAAAA8eIEAAAAAAFgB/AAAHwQQCAAADQjh3hYx0bPIEgisAyVydACD8K1lGjkJmDU4dNiKcPLgnZGUIQholQLYyacciMCOAAACQAAAAAAAAASAAAAAAAAAAAAAAA== > N-[3-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide > N-[3-[2-[[cyclopropyl(oxo)methyl]amino]-5-thiazolo[5,4-b]pyridinyl]phenyl]-3-[4-(2-hydroxyethyl)-1-piperazinyl]-5-(trifluoromethyl)benzamide > N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide > N-[3-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide > N-[3-[2-(cyclopropylcarbonylamino)-[1,3]thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-(trifluoromethyl)benzamide > N-[3-[2-(cyclopropanecarbonylamino)thiazolo[5,4-b]pyridin-5-yl]phenyl]-3-[4-(2-hydroxyethyl)piperazino]-5-(trifluoromethyl)benzamide > InChI=1S/C30H29F3N6O3S/c31-30(32,33)21-14-20(16-23(17-21)39-10-8-38(9-11-39)12-13-40)27(42)34-22-3-1-2-19(15-22)24-6-7-25-28(35-24)43-29(36-25)37-26(41)18-4-5-18/h1-3,6-7,14-18,40H,4-5,8-13H2,(H,34,42)(H,36,37,41) > MZVSIXAPZSLLPJ-UHFFFAOYSA-N > 4.2 > 610.19739447 > C30H29F3N6O3S > 610.7 > C1CC1C(=O)NC2=NC3=C(S2)N=C(C=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=CC(=C5)N6CCN(CC6)CCO)C(F)(F)F > C1CC1C(=O)NC2=NC3=C(S2)N=C(C=C3)C4=CC(=CC=C4)NC(=O)C5=CC(=CC(=C5)N6CCN(CC6)CCO)C(F)(F)F > 139 > 610.19739447 > 0 > 43 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 25 8 1 33 8 11 25 8 11 31 8 13 33 8 13 36 8 23 26 8 23 27 8 26 28 8 27 29 8 28 30 8 29 30 8 31 33 8 31 35 8 35 38 8 36 38 8 37 40 8 37 41 8 39 40 8 39 42 8 41 43 8 42 43 8 $$$$