4640649 -OEChem-05122417242D 59 63 0 0 0 0 0 0 0999 V2000 8.9363 0.7154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 -4.2846 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 -1.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 2.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 3.5201 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1240 1.9106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 2.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 1.3493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 2.2154 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -1.2846 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0404 1.8493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5404 2.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0703 3.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 2.6584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4526 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 3.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 3.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9363 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 3.6094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7617 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9202 4.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7123 3.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8183 5.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7203 4.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -4.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8023 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5344 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -5.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 1.2388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6230 1.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 3.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9578 2.9274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 3.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 4.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 3.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 -0.1023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9532 -0.5004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3513 0.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 5.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2456 3.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8159 5.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2585 5.0717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4129 0.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0144 0.7980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2053 -0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2654 -2.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 -2.4746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0713 -4.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0483 -5.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -5.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2883 -5.2846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 27 1 0 0 0 0 2 33 1 0 0 0 0 3 28 2 0 0 0 0 4 6 1 0 0 0 0 4 15 1 0 0 0 0 4 20 1 0 0 0 0 5 14 1 0 0 0 0 5 15 2 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 40 1 0 0 0 0 8 17 2 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 14 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 24 2 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 25 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 30 33 2 0 0 0 0 30 34 1 0 0 0 0 30 35 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 4640649 > 1 > 734 > 7 > 2 > 7 > AAADceB7oQBAAAAAAAAAAAAAAAAAAWLAAAA8YIAAAAAAAFix/AAAHwQYAAAADAiF3wiz8P7rEAiqAydydACS1CthArAduSAwZJiIKKLA2dGEpAhonALIyCcQgAAOCAAAAAACAAAQAAAAAAQAAAAAAAAAAA== > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)acetamide > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-fluoro-4-methylphenyl)acetamide > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]-N-(3-fluoranyl-4-methyl-phenyl)ethanamide > 2-[[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]-N-(3-fluoro-4-methyl-phenyl)acetamide > InChI=1S/C25H24FN7OS/c1-14-8-9-17(12-20(14)26)27-23(34)13-35-25-28-21-7-5-4-6-19(21)24-29-22(32-33(24)25)11-10-18-15(2)30-31-16(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,27,34)(H,30,31) > QAJFPPXXVZWNQN-UHFFFAOYSA-N > 5 > 489.17470775 > C25H24FN7OS > 489.6 > CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C)F > CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=C(NN=C5C)C)F > 126 > 489.17470775 > 0 > 35 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 13 16 8 13 17 8 15 18 8 18 19 8 18 23 8 19 24 8 23 25 8 24 26 8 25 26 8 29 31 8 29 32 8 30 33 8 30 34 8 31 33 8 32 34 8 4 15 8 4 20 8 4 6 8 5 14 8 5 15 8 6 14 8 7 16 8 7 8 8 8 17 8 9 19 8 9 20 8 $$$$