Ketcher 11261605232D 1 1.00000 0.00000 0 42 46 0 0 0 999 V2000 22.5944 -13.0575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5944 -14.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7268 -12.5577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4591 -12.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 -14.5586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4619 -14.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7269 -11.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8622 -13.0593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3266 -13.0557 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4591 -11.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7297 -15.5582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8620 -14.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4619 -15.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8621 -11.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9974 -12.5612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1912 -12.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5972 -16.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9975 -14.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8592 -10.0587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.9945 -11.5599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1913 -11.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0588 -13.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5972 -17.0575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7268 -9.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0559 -11.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3237 -11.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9236 -12.5524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0589 -14.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7326 -17.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7238 -8.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5916 -10.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9234 -11.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5914 -8.0579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4560 -9.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4562 -8.5560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3207 -8.0545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3208 -7.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1884 -8.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1854 -6.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0530 -8.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0530 -7.0532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.9176 -6.5518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 2 5 2 0 0 0 2 6 1 0 0 0 3 7 1 0 0 0 3 8 2 0 0 0 4 9 1 0 0 0 4 10 2 0 0 0 5 11 1 0 0 0 5 12 1 0 0 0 6 13 2 0 0 0 7 14 2 0 0 0 8 15 1 0 0 0 9 16 1 0 0 0 11 17 2 0 0 0 12 18 1 0 0 0 13 17 1 0 0 0 14 19 1 0 0 0 14 20 1 0 0 0 15 20 2 0 0 0 16 21 2 0 0 0 16 22 1 0 0 0 17 23 1 0 0 0 19 24 1 0 0 0 21 25 1 0 0 0 21 26 1 0 0 0 22 27 2 0 0 0 22 28 1 0 0 0 23 29 1 0 0 0 24 30 2 0 0 0 24 31 1 0 0 0 25 32 2 0 0 0 27 32 1 0 0 0 30 33 1 0 0 0 31 34 2 0 0 0 33 35 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 M END > CHEBI:133818 > HG-9-91-01 > A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer. > 3 > N-(2,4-dimethoxyphenyl)-N'-(2,6-dimethylphenyl)-N-{6-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl}urea > C32H37N7O3 > 567.682 > 567.29579 > 0 > N(C1=C(C=C(C=C1)OC)OC)(C=2C=C(NC3=CC=C(C=C3)N4CCN(CC4)C)N=CN2)C(NC5=C(C=CC=C5C)C)=O > InChI=1S/C32H37N7O3/c1-22-7-6-8-23(2)31(22)36-32(40)39(27-14-13-26(41-4)19-28(27)42-5)30-20-29(33-21-34-30)35-24-9-11-25(12-10-24)38-17-15-37(3)16-18-38/h6-14,19-21H,15-18H2,1-5H3,(H,36,40)(H,33,34,35) > UYUHRKLITDJEHB-UHFFFAOYSA-N > 24079892 > 24745372; 25088745; 25114223; 26590148; 27224444; 27478041 $$$$