60193742 -OEChem-04252402552D 63 68 0 1 0 0 0 0 0999 V2000 9.0422 -2.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 3.2912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 0.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.7912 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -1.7088 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 2.0960 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 -4.2033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.2912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3966 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8607 1.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.4865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.5808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7113 -3.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2113 -4.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.3164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.3738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.6012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0211 2.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.7914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 0.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 0.5267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 2.4018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.6853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8732 3.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4746 3.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 -2.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 -3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -0.9632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.7058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.1479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 4.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3279 -3.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4634 -4.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.4991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.3192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.0088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 21 2 0 0 0 0 3 24 1 0 0 0 0 3 58 1 0 0 0 0 4 29 1 0 0 0 0 4 33 1 0 0 0 0 5 10 1 0 0 0 0 5 14 1 0 0 0 0 5 21 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 6 25 1 0 0 0 0 7 15 1 0 0 0 0 7 23 1 0 0 0 0 7 50 1 0 0 0 0 8 30 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 15 2 0 0 0 0 11 22 1 0 0 0 0 12 17 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 6 0 0 0 14 40 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 30 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 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 > 60193742 > 1 > 728 > 6 > 2 > 5 > AAADceB7sABAAAAAAAAAAAAAGAAAAWLAAAA8WIAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLEsZuUcChm1hn46AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(2-thiazolylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone > cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopropyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone > cyclopropyl-[(1R)-7-methoxy-1-methylol-1'-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-yl]methanone > InChI=1S/C25H30N4O3S/c1-32-17-4-5-18-19(12-17)27-23-20(14-30)29(24(31)16-2-3-16)15-25(22(18)23)6-9-28(10-7-25)13-21-26-8-11-33-21/h4-5,8,11-12,16,20,27,30H,2-3,6-7,9-10,13-15H2,1H3/t20-/m0/s1 > KWUDQBGQRYIWBK-FQEVSTJZSA-N > 2.1 > 466.20386201 > C25H30N4O3S > 466.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)CC5=NC=CS5)C(=O)C6CC6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@@H](N(CC34CCN(CC4)CC5=NC=CS5)C(=O)C6CC6)CO > 110 > 466.20386201 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 30 8 1 31 8 11 15 8 11 22 8 14 24 6 22 23 8 22 26 8 23 27 8 26 28 8 27 29 8 28 29 8 31 32 8 7 15 8 7 23 8 8 30 8 8 32 8 $$$$