Ketcher 02171716392D 1 1.00000 0.00000 0 40 44 0 1 0 999 V2000 26.2709 -25.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9537 -20.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4090 -23.9237 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6828 -21.9187 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5406 -25.4236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4061 -24.9237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5444 -23.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5473 -22.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6856 -20.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8153 -22.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8211 -20.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9507 -21.9137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 -27.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6446 -28.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7785 -26.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7784 -28.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9125 -27.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9125 -28.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5959 -26.7368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1833 -27.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5957 -28.3554 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0464 -28.5464 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 25.1833 -27.5463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0043 -25.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5878 -25.1195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5458 -26.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5007 -26.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7186 -27.6991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2371 -26.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6729 -27.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1912 -26.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4091 -27.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0085 -25.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5166 -25.0524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0247 -24.1912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5167 -25.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0221 -24.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9824 -28.3758 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 26.8908 -28.9744 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 25.4340 -25.9615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 2 11 1 0 0 0 2 12 1 0 0 0 3 6 1 0 0 0 3 7 1 0 0 0 4 8 1 0 0 0 4 9 1 0 0 0 4 10 1 0 0 0 5 6 1 1 0 0 7 8 1 0 0 0 9 11 1 0 0 0 10 12 1 0 0 0 15 13 2 0 0 0 16 14 2 0 0 0 17 15 1 0 0 0 18 16 1 0 0 0 18 17 2 0 0 0 19 13 1 0 0 0 14 13 1 0 0 0 19 20 1 1 0 0 21 14 1 0 0 0 21 20 1 0 0 0 18 22 1 0 0 0 20 23 2 0 0 0 19 24 1 0 0 0 25 24 1 0 0 0 26 19 1 0 0 0 5 25 1 0 0 0 5 26 1 0 0 0 26 27 1 0 0 0 28 27 1 0 0 0 29 27 2 0 0 0 30 28 2 0 0 0 31 29 1 0 0 0 32 30 1 0 0 0 32 31 2 0 0 0 24 33 1 1 0 0 33 34 1 0 0 0 34 35 1 0 0 0 34 36 1 0 0 0 34 37 1 0 0 0 28 38 1 0 0 0 30 39 1 0 0 0 26 40 1 1 0 0 M END > CHEBI:134602 > MI-63 > An azaspiro compound resulting from the formal fusion of position 3 of 6-chloro-oxindole with position 3 of (2R,3SS5S)-3-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]pyrrolidine-2-carboxamide. It is a potent inhibitor of the MDM2-p53 interaction. > 3 > (2'R,3S,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide > C29H35Cl2FN4O3 > 577.519 > 576.20702 > 0 > O=C(NCCN1CCOCC1)[C@@H]2N[C@@H]([C@@]3(C4=CC=C(C=C4NC3=O)Cl)[C@]2(C=5C(=C(C=CC5)Cl)F)[H])CC(C)(C)C > InChI=1S/C29H35Cl2FN4O3/c1-28(2,3)16-22-29(19-8-7-17(30)15-21(19)34-27(29)38)23(18-5-4-6-20(31)24(18)32)25(35-22)26(37)33-9-10-36-11-13-39-14-12-36/h4-8,15,22-23,25,35H,9-14,16H2,1-3H3,(H,33,37)(H,34,38)/t22-,23+,25-,29+/m1/s1 > YTBYOWZWBDYLQF-BGLPIVGWSA-N > 10506427 > 19707204; 20423286; 21725357; 24921920; 25181509; 27323823; 27729622 $$$$