null CDK 0225161914 null 31 36 0 0 0 0 0 0 0 0999 V2000 1.9339 -1.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9339 -0.6855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6014 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3464 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8985 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9604 0.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4084 -0.3721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7674 0.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0223 -0.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 0.5840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2665 -0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4595 -0.3721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0925 0.2410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1624 1.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9694 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5949 1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3299 2.3067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7045 1.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5849 3.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 3.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 3.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2878 4.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1163 5.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9009 5.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8995 0.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4515 0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2361 0.9375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 1.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2046 -1.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6024 -1.3283 0.0000 O 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 1 0 0 0 0 4 11 1 0 0 0 0 11 12 2 0 0 0 0 12 2 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 11 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 16 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 23 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 27 1 0 0 0 0 13 30 1 6 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:127136 > 2-cyclopropyl-1-[(1R)-2-(cyclopropylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone > 2 > C25H33N3O3 > 423.549 > 423.25219 > 0 > CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)C(=O)CC5CC5)CC6CC6)CO > InChI=1S/C25H33N3O3/c1-26-20-10-18(31-2)7-8-19(20)23-24(26)21(12-29)27(11-17-5-6-17)13-25(23)14-28(15-25)22(30)9-16-3-4-16/h7-8,10,16-17,21,29H,3-6,9,11-15H2,1-2H3/t21-/m0/s1 > BWIWIZKOACBQIG-NRFANRHFSA-N > LSM-38698 $$$$