null CDK 0225161901 null 33 37 0 0 0 0 0 0 0 0999 V2000 11.5494 3.2419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 2.4882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 2.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9084 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 3.8231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0645 3.9093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 2.9832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7524 2.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1649 1.5150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6129 0.9019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9454 2.0580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 8 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 18 1 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 31 32 1 0 0 0 0 32 20 1 0 0 0 0 32 33 2 0 0 0 0 M END > CHEBI:116088 > 2-[[5-(cyclohexylamino)-1,3,4-thiadiazol-2-yl]thio]-N-(9,10-dioxo-2-anthracenyl)acetamide > 2 > C24H22N4O3S2 > 478.590 > 478.11333 > 0 > C1CCC(CC1)NC2=NN=C(S2)SCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O > InChI=1S/C24H22N4O3S2/c29-20(13-32-24-28-27-23(33-24)26-14-6-2-1-3-7-14)25-15-10-11-18-19(12-15)22(31)17-9-5-4-8-16(17)21(18)30/h4-5,8-12,14H,1-3,6-7,13H2,(H,25,29)(H,26,27) > AYDYLYXVAHBVDG-UHFFFAOYSA-N > LSM-27544 $$$$