-ISIS- 08251614012D 38 42 0 0 0 0 0 0 0 0999 V2000 -2.6667 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6833 0.4542 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5708 -2.2792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -0.7250 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 0.8250 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3917 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 0.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7833 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1042 -0.9292 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -2.1417 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 1.4167 1.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -1.0333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2542 -0.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 -3.1292 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 -3.5708 0.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2542 -2.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7292 2.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6958 1.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4625 2.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7083 -3.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -1.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0333 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1083 -0.7250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1083 -1.7083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4958 3.2417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7958 -3.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 1.5792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 2.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6958 1.8083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1750 3.6583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9208 -3.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9625 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1083 3.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 10 1 0 0 0 0 4 2 1 0 0 0 0 5 1 1 0 0 0 0 6 5 1 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 9 6 1 0 0 0 0 10 8 1 0 0 0 0 11 1 1 0 0 0 0 12 8 1 0 0 0 0 13 2 1 0 0 0 0 14 3 1 0 0 0 0 15 7 2 0 0 0 0 16 6 1 0 0 0 0 17 30 1 0 0 0 0 18 5 2 0 0 0 0 19 9 1 0 0 0 0 20 25 1 0 0 0 0 21 10 2 0 0 0 0 22 28 1 0 0 0 0 23 13 1 0 0 0 0 24 13 1 0 0 0 0 25 31 2 0 0 0 0 26 16 2 0 0 0 0 27 26 1 0 0 0 0 28 33 2 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 32 1 0 0 0 0 32 14 1 0 0 0 0 33 31 1 0 0 0 0 34 20 1 0 0 0 0 35 22 1 0 0 0 0 36 17 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 9 4 2 0 0 0 0 7 3 1 0 0 0 0 17 29 1 0 0 0 0 19 27 2 0 0 0 0 20 22 2 0 0 0 0 M END > (STK811519) STK811519 > (STK811519) 6 > (STK811519) 1.644 > (STK811519) 135.31 > (STK811519) 0 > (STK811519) 4 > (STK811519) 5 > (STK811519) 3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one > (STK811519) 551.69 > (STK811519) C27H29N5O4S2 > (STK811519) COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4)N3CCN(CC3)C)/C2=O)ccc1OC $$$$