16655949 CDK 1019211303 29 32 0 0 0 0 0 0 0 0999 V2000 9.2913 0.3477 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7663 -1.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 -1.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 1.7958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -1.1004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1163 -1.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3412 0.3477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8162 -1.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5787 -0.3668 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5288 -0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5288 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 -0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2913 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3538 -0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3538 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 1.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8597 -0.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -1.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8788 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 -0.3668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0537 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -0.4774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 9 3 1 1 0 0 0 4 17 2 0 0 0 0 5 18 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 12 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 14 22 2 0 0 0 0 14 23 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 27 2 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 M END > CHEBI:181268 > (R)-2-(3-((3-Fluoro-4-morpholinophenyl)amino)-2-hydroxypropyl)isoindoline-1,3-dione > 2 > 2-[(2R)-3-(3-luoro-4-morpholin-4-ylanilino)-2-hydroxypropyl]isoindole-1,3-dione > C21H22FN3O4 > 399.422 > 399.15943 > 0 > FC1=C(N2CCOCC2)C=CC(NC[C@@H](O)CN3C(=O)C=4C(C3=O)=CC=CC4)=C1 > InChI=1S/C21H22FN3O4/c22-18-11-14(5-6-19(18)24-7-9-29-10-8-24)23-12-15(26)13-25-20(27)16-3-1-2-4-17(16)21(25)28/h1-6,11,15,23,26H,7-10,12-13H2/t15-/m1/s1 > UVDYUDNYSNKZRV-OAHLLOKOSA-N $$$$