60193870 -OEChem-04192423042D 66 71 0 1 0 0 0 0 0999 V2000 10.7742 2.0538 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -2.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.2671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6471 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 1.9518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 0.6526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -2.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 -4.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -2.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 -3.7671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.7249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.9984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5917 -3.0771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.7297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5180 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9166 -4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -1.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -4.7420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -2.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 -2.1845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0727 -4.3497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4712 -3.6594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 1.3755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1955 -0.1217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 32 1 0 0 0 0 2 17 2 0 0 0 0 3 21 1 0 0 0 0 3 61 1 0 0 0 0 4 31 1 0 0 0 0 4 34 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 20 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 43 1 0 0 0 0 8 29 2 0 0 0 0 8 33 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 35 1 0 0 0 0 10 36 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 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 6 0 0 0 14 41 1 0 0 0 0 16 19 2 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 42 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 26 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 30 2 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 30 31 1 0 0 0 0 30 60 1 0 0 0 0 32 33 2 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > 60193870 > 1 > 744 > 6 > 2 > 5 > AAADcfB7sABAAAAAAAAAAAAAAABYAWLAAAA8YIAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLE8ZuUcChm1hn46AeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclohexyl-[(1R)-7-methoxy-1-methylol-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-1'-yl]methanone > InChI=1S/C26H32N4O3S/c1-33-18-7-8-19-20(11-18)28-24-21(13-31)29(12-22-27-9-10-34-22)14-26(23(19)24)15-30(16-26)25(32)17-5-3-2-4-6-17/h7-11,17,21,28,31H,2-6,12-16H2,1H3/t21-/m0/s1 > SRDBQTICXLBFRB-NRFANRHFSA-N > 3 > 480.21951207 > C26H32N4O3S > 480.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)C(=O)C5CCCCC5)CC6=NC=CS6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CN(C4)C(=O)C5CCCCC5)CC6=NC=CS6)CO > 110 > 480.21951207 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 8 1 32 8 13 15 8 13 16 8 14 21 6 16 19 8 16 24 8 19 28 8 24 30 8 28 31 8 30 31 8 32 33 8 7 15 8 7 19 8 8 29 8 8 33 8 $$$$