null CDK 0225161918 null 28 31 0 0 0 0 0 0 0 0999 V2000 -2.6356 -6.8134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 -5.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0522 -6.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6356 -4.8216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -4.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -4.4091 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 -3.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -3.1716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9931 -2.3748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1962 -2.5883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4097 -3.3852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5183 -2.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2327 -2.5883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 -1.6603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 -0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4056 -0.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9931 -0.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 0.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6431 1.9121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 1.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2306 2.6265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 3.3410 0.0000 N 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 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 9 8 1 6 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 9 1 0 0 0 0 11 13 1 1 0 0 0 13 14 1 0 0 0 0 10 15 1 1 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 15 1 0 0 0 0 18 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 21 1 0 0 0 0 25 27 1 0 0 0 0 27 28 3 0 0 0 0 M END > CHEBI:130862 > N-[[(2S,3R,4S)-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]cyclobutanecarboxamide > 2 > C23H25N3O2 > 375.464 > 375.19468 > 0 > C1CC(C1)C(=O)NC[C@@H]2[C@H]([C@H](N2)CO)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N > InChI=1S/C23H25N3O2/c24-12-15-3-1-6-19(11-15)16-7-9-17(10-8-16)22-20(26-21(22)14-27)13-25-23(28)18-4-2-5-18/h1,3,6-11,18,20-22,26-27H,2,4-5,13-14H2,(H,25,28)/t20-,21-,22-/m1/s1 > LQGLWQDMHHJODC-YPAWHYETSA-N > LSM-42411 $$$$