60193741 -OEChem-05042405432D 76 81 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 8.1286 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 3 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 8.9946 2.2912 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 9.8606 1.7912 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 9.8606 0.7912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 2.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7267 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5927 1.7912 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 11.5927 0.7912 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 5.1397 3.0465 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 9.3932 2.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.7662 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 9.8606 2.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.8738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.1836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2501 0.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 2.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 2.7662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3281 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1252 -0.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 1.6836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8048 2.3738 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 11.8048 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2033 0.8989 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 5.7290 3.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.8539 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 8.1286 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 33 1 0 0 0 0 1 34 1 0 0 0 0 2 21 1 0 0 0 0 2 71 1 0 0 0 0 3 32 1 0 0 0 0 3 36 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 5 26 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 29 1 0 0 0 0 7 33 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 17 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 6 0 0 0 13 43 1 0 0 0 0 15 18 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 28 1 0 0 0 0 20 30 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 25 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 27 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 33 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 31 2 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 29 68 1 0 0 0 0 30 32 2 0 0 0 0 30 69 1 0 0 0 0 31 32 1 0 0 0 0 31 70 1 0 0 0 0 34 35 2 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 36 76 1 0 0 0 0 M END > 60193741 > 1 > 728 > 6 > 1 > 6 > AAADcfB7sABAAAAAAAAAAAAAAAAAAWLAAAA8eIEAAAAAAFgB/AAAHgQACAAADyzl3ga+x/MMFgikAzRnRACC+KBxKjhI2Cw+bJgOduLEsZuUcChmwBn46AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanol > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1-yl]methanol > [(1R)-2-(cyclohexylmethyl)-7-methoxy-9-methyl-1'-(thiazol-2-ylmethyl)spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-1-yl]methanol > InChI=1S/C29H40N4O2S/c1-31-24-16-22(35-2)8-9-23(24)27-28(31)25(19-34)33(17-21-6-4-3-5-7-21)20-29(27)10-13-32(14-11-29)18-26-30-12-15-36-26/h8-9,12,15-16,21,25,34H,3-7,10-11,13-14,17-20H2,1-2H3/t25-/m0/s1 > XKHKGEXEYHPOPX-VWLOTQADSA-N > 4.5 > 508.28719770 > C29H40N4O2S > 508.7 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)CC5=NC=CS5)CC6CCCCC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5=NC=CS5)CC6CCCCC6)CO > 82 > 508.28719770 > 0 > 36 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 33 8 1 34 8 10 14 8 10 19 8 13 21 6 19 20 8 19 28 8 20 30 8 28 31 8 30 32 8 31 32 8 34 35 8 6 14 8 6 20 8 7 33 8 7 35 8 $$$$