60193745 -OEChem-05072418262D 63 68 0 1 0 0 0 0 0999 V2000 9.9652 0.6285 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -3.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 3.6230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -0.0106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 1.6230 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.2626 -1.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 1.9277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7742 2.0298 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 2.1230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3966 1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4503 0.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6286 -4.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1286 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 -2.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8667 1.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9946 2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2626 3.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -0.6337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 1.0316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0140 -0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 0.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9433 0.4206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4433 1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 0.2056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -0.4846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 0.0404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 0.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3406 -1.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7392 -1.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7860 -1.2693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1845 -1.9596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7995 2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -2.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 -4.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1036 -4.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 -3.5890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2363 -2.7664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2577 2.5171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5961 2.5980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0505 3.7056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 3.0154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4128 -1.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4771 1.5376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7635 -1.3161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1286 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1955 -0.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0599 1.3514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 -0.6673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7452 -1.4874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5652 -1.1770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 31 1 0 0 0 0 2 22 2 0 0 0 0 3 25 1 0 0 0 0 3 58 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 7 17 1 0 0 0 0 7 23 1 0 0 0 0 7 50 1 0 0 0 0 8 28 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 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 15 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 1 0 0 0 16 44 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 45 1 0 0 0 0 19 23 2 0 0 0 0 19 26 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 29 2 0 0 0 0 26 55 1 0 0 0 0 27 30 2 0 0 0 0 27 56 1 0 0 0 0 29 30 1 0 0 0 0 29 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 > 60193745 > 1 > 728 > 6 > 2 > 5 > AAADceB7sABAAAAAAAAAAAAAGAAAAWLAAAA8WIAAAAAAAFgB/AAAHgQQCAAADyzl3ga+x/PJlgisAzV3VACC+KBxKjhI2S0+bJgOdvLEsZuUcChm1hn46AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA== > cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone > cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(1,3-thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]methanone > cyclopropyl-[(1S)-7-methoxy-1-methylol-2-(thiazol-2-ylmethyl)spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-1'-yl]methanone > InChI=1S/C25H30N4O3S/c1-32-17-4-5-18-19(12-17)27-23-20(14-30)29(13-21-26-8-11-33-21)15-25(22(18)23)6-9-28(10-7-25)24(31)16-2-3-16/h4-5,8,11-12,16,20,27,30H,2-3,6-7,9-10,13-15H2,1H3/t20-/m1/s1 > QRFVHTBVYITQKP-HXUWFJFHSA-N > 2.1 > 466.20386201 > C25H30N4O3S > 466.6 > COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)C(=O)C5CC5)CC6=NC=CS6)CO > COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)C5CC5)CC6=NC=CS6)CO > 110 > 466.20386201 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 28 8 1 31 8 13 17 8 13 19 8 16 25 5 19 23 8 19 26 8 23 27 8 26 29 8 27 30 8 29 30 8 31 32 8 7 17 8 7 23 8 8 28 8 8 32 8 $$$$