60184062 -OEChem-05062423282D 60 65 0 1 0 0 0 0 0999 V2000 10.7742 1.7868 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.3801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.2535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.5341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.3801 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4503 1.6848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9652 0.3855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -0.1199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9697 -0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 1.8801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.0753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3874 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0945 -2.7753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 0.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3534 -3.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 1.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.8801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.8766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.3801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.9919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -0.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1171 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -1.2654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4081 -0.3886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -0.2025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.4877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.1901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2095 -2.4194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7886 -4.1605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -4.5989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6934 -2.6149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9341 -2.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5138 -4.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -3.5808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.7724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.3743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.2947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.0001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 1.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1955 -0.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.9103 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.7303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.4200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 1 30 1 0 0 0 0 2 17 2 0 0 0 0 3 24 1 0 0 0 0 3 55 1 0 0 0 0 4 29 1 0 0 0 0 4 32 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 23 1 0 0 0 0 7 15 1 0 0 0 0 7 21 1 0 0 0 0 7 45 1 0 0 0 0 8 27 2 0 0 0 0 8 31 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 33 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 1 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 40 1 0 0 0 0 18 21 2 0 0 0 0 18 25 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 28 2 0 0 0 0 25 52 1 0 0 0 0 26 29 2 0 0 0 0 26 53 1 0 0 0 0 28 29 1 0 0 0 0 28 54 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 M END > 60184062 > 1 > 715 > 6 > 2 > 5 > AAADceB7sABAAAAAAAAAAAAAAAB4gWLAAAA8QAAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLE8ZuUcChm1hn46AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1'-yl]methanone > cyclobutyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]methanone > cyclobutyl-[(1S)-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 > cyclobutyl-[(1S)-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 > cyclobutyl-[(1S)-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 > cyclobutyl-[(1S)-7-methoxy-1-methylol-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,3'-azetidine]-1'-yl]methanone > InChI=1S/C24H28N4O3S/c1-31-16-5-6-17-18(9-16)26-22-19(11-29)27(10-20-25-7-8-32-20)12-24(21(17)22)13-28(14-24)23(30)15-3-2-4-15/h5-9,15,19,26,29H,2-4,10-14H2,1H3/t19-/m1/s1 > HZHNXULCXGCTGZ-LJQANCHMSA-N > 1.9 > 452.18821194 > C24H28N4O3S > 452.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CN(C4)C(=O)C5CCC5)CC6=NC=CS6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CN(C4)C(=O)C5CCC5)CC6=NC=CS6)CO > 110 > 452.18821194 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 27 8 1 30 8 13 15 8 13 18 8 14 24 5 18 21 8 18 25 8 21 26 8 25 28 8 26 29 8 28 29 8 30 31 8 7 15 8 7 21 8 8 27 8 8 31 8 $$$$