Marvin 01311310062D 43 47 0 0 0 0 999 V2000 10.9016 -5.8136 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.7266 -5.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0766 -5.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 -9.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7594 -3.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3303 -5.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -10.3511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 -4.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 -3.3386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 -4.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4726 -3.3386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 -9.1136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 -6.6386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -7.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -7.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9016 -8.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7581 -4.5761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7581 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -7.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1870 -7.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -3.7511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3305 -9.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 -5.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0206 -3.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6160 -9.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6159 -4.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3305 -3.3387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7595 -8.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0450 -9.5261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7594 -9.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0449 -3.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3304 -4.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2731 -4.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2731 -3.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3305 -8.2886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0450 -7.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0449 -4.5762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 -7.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1884 -9.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4739 -3.7513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0448 -6.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 4 32 1 0 0 0 0 4 41 1 0 0 0 0 5 33 1 0 0 0 0 5 42 1 0 0 0 0 6 34 1 0 0 0 0 6 43 1 0 0 0 0 7 27 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 9 23 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 15 2 0 0 0 0 11 20 1 0 0 0 0 12 18 1 0 0 0 0 12 27 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 23 28 2 0 0 0 0 23 29 1 0 0 0 0 24 27 1 0 0 0 0 24 31 2 0 0 0 0 24 37 1 0 0 0 0 25 35 1 0 0 0 0 26 36 1 0 0 0 0 28 34 1 0 0 0 0 29 33 2 0 0 0 0 30 32 2 0 0 0 0 30 38 1 0 0 0 0 30 40 1 0 0 0 0 31 32 1 0 0 0 0 33 39 1 0 0 0 0 34 39 2 0 0 0 0 35 36 2 0 0 0 0 37 38 2 0 0 0 0 M END > CHEBI:71958 > XL765 > A sulfonamide obtained by formal condensation of the sulfonic acid group of 4-[(3-methoxy-4-methylbenzoyl)amino]benzenesulfonic acid with the primary aromatic amino group of N-(3,5-dimethoxyphenyl)quinoxaline-2,3-diamine. A dual PI3K/mTOR inhibitor used in cancer treatment. > 3 > XL-765; XL 765 > N-[4-({3-[(3,5-dimethoxyphenyl)amino]quinoxalin-2-yl}sulfamoyl)phenyl]-3-methoxy-4-methylbenzamide > C31H29N5O6S > 599.65700 > 599.18385 > 0 > COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(OC)c3)cc2)cc(OC)c1 > InChI=1S/C31H29N5O6S/c1-19-9-10-20(15-28(19)42-4)31(37)33-21-11-13-25(14-12-21)43(38,39)36-30-29(34-26-7-5-6-8-27(26)35-30)32-22-16-23(40-2)18-24(17-22)41-3/h5-18H,1-4H3,(H,32,34)(H,33,37)(H,35,36) > HJSSPYJVWLTYHG-UHFFFAOYSA-N > LSM-1174 > 18959794; 18985183; 20191424; 21317208; 21678117; 22848094 $$$$