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0 0 0 0 0 0 3.9570 1.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 1.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4853 0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 2.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 3.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4435 2.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7114 2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4396 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7076 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 3.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2998 4.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -3.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2382 -3.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -2.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -3.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -1.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -2.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -3.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 -4.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 0.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 -3.2649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9702 -3.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 -2.1910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 0.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -1.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 -0.2279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3396 1.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 2.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6968 1.3029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 0.7706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0234 0.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 2.9662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 3.4985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 2.8287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 2.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 3.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1415 3.4127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -4.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9816 2.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1757 2.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 3.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 4.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9198 4.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 5.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 4.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 61 1 0 0 0 0 2 15 2 0 0 0 0 3 30 1 0 0 0 0 3 33 1 0 0 0 0 4 8 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 49 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 34 1 1 0 0 0 8 12 1 0 0 0 0 8 35 1 1 0 0 0 9 14 1 1 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 16 20 2 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 47 1 0 0 0 0 19 23 2 0 0 0 0 19 48 1 0 0 0 0 20 23 1 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 22 25 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 54 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 26 60 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 31 32 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 33 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 M END > 60190874 > 1 > 669 > 4 > 2 > 4 > AAADcfB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFixQAAAHgAQCAAADSzhmAYzxoPABgCIAiRCUACCCAAhIgAIiIAObIiONiLE8ZuEcChs1hPY6Aew0PIOiAADAAACAAAQAAYAAAQAAAAAAAAAAA== > (3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclohexyl-4-(hydroxymethyl)-8-(3-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > (3aR,4R,9bS)-N-cyclohexyl-8-(3-methoxyphenyl)-5-methyl-4-methylol-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinoline-1-carboxamide > InChI=1S/C27H35N3O3/c1-29-24-12-11-19(18-7-6-10-21(15-18)33-2)16-23(24)26-22(25(29)17-31)13-14-30(26)27(32)28-20-8-4-3-5-9-20/h6-7,10-12,15-16,20,22,25-26,31H,3-5,8-9,13-14,17H2,1-2H3,(H,28,32)/t22-,25-,26-/m0/s1 > MXKYDAPAVVDVMX-HRNNMHKYSA-N > 4.2 > 449.26784199 > C27H35N3O3 > 449.6 > CN1C(C2CCN(C2C3=C1C=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NC5CCCCC5)CO > CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC(=CC=C4)OC)C(=O)NC5CCCCC5)CO > 65 > 449.26784199 > 0 > 33 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 13 8 12 16 8 13 19 8 16 20 8 19 23 8 20 23 8 27 28 8 27 29 8 28 30 8 29 31 8 30 32 8 31 32 8 7 34 5 8 35 5 9 14 5 $$$$