Ketcher 11142316552D 1 1.00000 0.00000 0 39 44 0 1 0 999 V2000 14.1116 -8.5185 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -9.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1738 -6.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7097 -7.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 -9.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7097 -10.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0494 -10.0185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6475 -10.5185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.4417 -7.0185 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0494 -9.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -10.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -8.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3174 -10.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9155 -10.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1834 -7.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 -10.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 -10.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3796 -7.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3796 -8.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2456 -7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5135 -10.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3078 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4417 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1116 -7.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2456 -9.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5135 -9.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9777 -7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1738 -7.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3078 -5.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8437 -7.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3796 -10.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2456 -10.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2456 -6.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9777 -6.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1116 -5.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5757 -8.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8437 -8.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7097 -9.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 1 25 1 0 0 0 2 12 1 0 0 0 2 13 1 0 0 0 3 28 1 0 0 0 3 29 1 0 0 0 4 30 1 0 0 0 4 31 1 0 0 0 5 17 2 0 0 0 6 39 2 0 0 0 7 10 1 0 0 0 7 11 1 0 0 0 7 14 1 0 0 0 8 17 1 0 0 0 8 21 1 0 0 0 9 22 1 0 0 0 9 23 1 0 0 0 9 30 1 0 0 0 10 12 1 0 0 0 11 13 1 0 0 0 12 15 1 1 0 0 13 16 1 1 0 0 14 17 1 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 25 2 0 0 0 19 26 1 0 0 0 20 24 2 0 0 0 20 34 1 0 0 0 21 26 2 0 0 0 21 32 1 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 24 27 1 0 0 0 25 33 1 0 0 0 27 31 1 0 0 0 27 35 2 0 0 0 30 37 2 0 0 0 31 38 2 0 0 0 32 33 2 0 0 0 34 36 2 0 0 0 35 36 1 0 0 0 37 39 1 0 0 0 38 39 1 0 0 0 M END > CHEBI:228206 > KU-60019 > A secondary carboxamide resulting from the formal condensation of the carboxy group of [(2R,6S)-2,6-dimethylmorpholin-4-yl]acetic acid with the amino group of 2-(7-amino-9H-thioxanthen-4-yl)-6-(morpholin-4-yl)-4H-pyran-4-one. It is an ATM kinase inhibitor (IC50 = 6.3 nM). > 3 > CHEBI:91416 > KU60019; KU 60019 > 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-{5-[6-(morpholin-4-yl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl}acetamide > C30H33N3O5S > 547.670 > 547.21409 > 0 > C[C@H]1CN(CC(=O)NC2=CC3=C(SC4=C(C3)C=CC=C4C3=CC(=O)C=C(O3)N3CCOCC3)C=C2)C[C@@H](C)O1 > InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+ > SCELLOWTHJGVIC-BGYRXZFFSA-N > 925701-49-1 > LSM-1156 > 19808981; 23620409; 24443327; 25091220; 25289090; 26620371; 28693235; 29522753; 31299316; 31597711; 31626963; 33971260; 34433825; 35477555; 35734412; 35783188; 35795059; 35835838; 36228747; 36314821; 36510329; 36650267; 36941082; 37620619 $$$$