60193752 -OEChem-06201300472D 61 66 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 8.1286 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 8.1286 1.4983 0.0000 N 0 0 3 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 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 8.1286 0.4983 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 6.3966 0.4983 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 7.2626 1.9983 0.0000 C 0 0 2 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 8.9946 1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3607 0.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8607 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 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 5.0430 -0.7584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1397 2.7536 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 8.1286 -2.9159 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 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 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 10.0211 2.0972 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 9.3932 2.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.4733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9683 2.1089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 0.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8356 0.2338 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 7.0505 3.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 2.8907 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 5.7290 2.9462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9471 3.3429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5504 2.5610 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 8.1286 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 26 1 0 0 0 0 1 29 1 0 0 0 0 2 22 1 0 0 0 0 2 56 1 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 9 1 0 0 0 0 4 14 1 0 0 0 0 4 16 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 24 1 0 0 0 0 7 26 2 0 0 0 0 7 30 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 32 1 0 0 0 0 9 33 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 15 2 0 0 0 0 12 19 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 22 1 6 0 0 0 14 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 26 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > 60193752 > 1 > 658 > 6 > 1 > 6 > AAADceB7sABAAAAAAAAAAAAAGABYAWLAAAA8QAAAAAAAAFgB/AAAHgQACAAADyzl3ga+x/MMFgikAzRnRACC+KBxKjhI2Cw+bJgOduLE8ZuUcChmwBn46AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > [(1R)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-(thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1-yl]methanol > [(1R)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-1-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanol > [(1R)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1-yl]methanol > [(1R)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-(1,3-thiazol-2-ylmethyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-1-yl]methanol > [(1R)-2-(cyclopropylmethyl)-7-methoxy-9-methyl-1'-(thiazol-2-ylmethyl)spiro[1,3-dihydro-$b-carboline-4,3'-azetidine]-1-yl]methanol > InChI=1S/C24H30N4O2S/c1-26-19-9-17(30-2)5-6-18(19)22-23(26)20(12-29)28(10-16-3-4-16)15-24(22)13-27(14-24)11-21-25-7-8-31-21/h5-9,16,20,29H,3-4,10-15H2,1-2H3/t20-/m0/s1 > JWVPIQDYDZPEJA-FQEVSTJZSA-N > 2.1 > 438.208947 > C24H30N4O2S > 438.5856 > CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CN(C4)CC5=NC=CS5)CC6CC6)CO > CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CN(C4)CC5=NC=CS5)CC6CC6)CO > 82 > 438.208947 > 0 > 31 > 1 > 0 > 0 > 0 > 0 > 1 > 1 > 1 5 255 > 1 26 8 1 29 8 12 15 8 12 19 8 14 22 6 19 21 8 19 23 8 21 25 8 23 27 8 25 28 8 27 28 8 29 30 8 6 15 8 6 21 8 7 26 8 7 30 8 $$$$