60193954 -OEChem-05012417302D 63 68 0 1 0 0 0 0 0999 V2000 9.0422 -2.5092 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.1353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.4159 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.4983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.8031 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -3.9104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.9983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 0.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 1.9051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.1619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.9069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -3.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -4.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.1472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.6060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.3083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.3082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -2.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8931 2.1175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.3924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 2.8907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3452 0.5038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9004 -0.1128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2758 2.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 2.4420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7517 -0.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5097 0.0437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9449 0.7975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8582 1.6227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.4130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.4408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.1183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 -4.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.6121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.3017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 31 1 0 0 0 0 2 18 2 0 0 0 0 3 21 1 0 0 0 0 3 58 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 17 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 6 18 1 0 0 0 0 7 15 1 0 0 0 0 7 20 1 0 0 0 0 7 44 1 0 0 0 0 8 27 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 1 0 0 0 14 40 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 28 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 31 32 2 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 M END > 60193954 > 1 > 728 > 6 > 2 > 5 > AAADceB7sABAAAAAAAAAAAAAAABYAeLEAAA8QAAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLE8ZuUcChm1hn46AeY2PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-2-yl]methanone > cyclopentyl-[(1S)-7-methoxy-1-methylol-1'-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-2-yl]methanone > InChI=1S/C25H30N4O3S/c1-32-17-6-7-18-19(10-17)27-23-20(12-30)29(24(31)16-4-2-3-5-16)15-25(22(18)23)13-28(14-25)11-21-26-8-9-33-21/h6-10,16,20,27,30H,2-5,11-15H2,1H3/t20-/m1/s1 > NKWRKLIGRFCWRO-HXUWFJFHSA-N > 2.4 > 466.20386201 > C25H30N4O3S > 466.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)CC5=NC=CS5)C(=O)C6CCCC6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)CC5=NC=CS5)C(=O)C6CCCC6)CO > 110 > 466.20386201 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 27 8 1 31 8 13 15 8 13 16 8 14 21 5 16 20 8 16 26 8 20 28 8 26 29 8 28 30 8 29 30 8 31 32 8 7 15 8 7 20 8 8 27 8 8 32 8 $$$$