null CDK 0225161918 null 35 39 0 0 0 0 0 0 0 0999 V2000 -4.5106 2.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 1.9064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1303 2.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9168 2.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 3.1303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5366 2.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7501 1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 1.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1667 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 1.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 0.7969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 0.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -0.5834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4084 -0.5834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9917 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -1.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9917 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4084 -1.4084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 -1.4084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7969 -1.7782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1324 0.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6302 1.4167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9504 0.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2661 1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0840 1.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5863 1.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2706 0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4526 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4042 1.1929 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 3 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 15 12 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 18 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 29 1 0 0 0 0 32 35 1 0 0 0 0 M END > CHEBI:130915 > (4-fluorophenyl)-[(8R,9S,10S)-10-(hydroxymethyl)-9-[4-(3-methoxyphenyl)phenyl]-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone > 2 > C29H31FN2O3 > 474.568 > 474.23187 > 0 > COC1=CC=CC(=C1)C2=CC=C(C=C2)[C@H]3[C@@H]4CN(CCCCN4[C@@H]3CO)C(=O)C5=CC=C(C=C5)F > InChI=1S/C29H31FN2O3/c1-35-25-6-4-5-23(17-25)20-7-9-21(10-8-20)28-26-18-31(15-2-3-16-32(26)27(28)19-33)29(34)22-11-13-24(30)14-12-22/h4-14,17,26-28,33H,2-3,15-16,18-19H2,1H3/t26-,27+,28-/m0/s1 > CREOWEDUZDMJSE-IARZGTGTSA-N > LSM-42463 $$$$