null CDK 0225161911 null 34 38 0 0 0 0 0 0 0 0999 V2000 -7.0599 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 -0.5375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 -1.2519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8224 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2349 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9974 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7599 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2849 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1099 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0474 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 0.8915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6026 0.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3651 -0.5375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5437 0.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 0.1770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 -0.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4276 1.0020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 0.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9026 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6651 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2526 -1.2519 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 6 1 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 23 22 1 1 0 0 0 23 18 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 21 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 28 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:125046 > 4-[4-[(1S,5R)-3-(2-fluorophenyl)sulfonyl-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide > 2 > C26H26FN3O3S > 479.568 > 479.16789 > 0 > CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)S(=O)(=O)C5=CC=CC=C5F > InChI=1S/C26H26FN3O3S/c1-29(2)26(31)20-13-9-18(10-14-20)17-7-11-19(12-8-17)25-22-15-30(16-23(25)28-22)34(32,33)24-6-4-3-5-21(24)27/h3-14,22-23,25,28H,15-16H2,1-2H3/t22-,23+,25? > CDWHBYURKNRNSH-HCGNOCCLSA-N > LSM-36508 $$$$