60184634 -OEChem-04252405172D 67 71 0 1 0 0 0 0 0999 V2000 4.5981 5.3512 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 -3.0608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -1.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.1488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8512 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.9535 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 -0.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 -1.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 -2.1102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 -5.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6494 -5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1494 -4.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8185 -3.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.6488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8888 -1.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8137 0.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 1.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9732 -1.9914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -2.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -2.0229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5861 -1.4906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6923 -5.7599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2475 -5.1433 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -5.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8410 -5.9409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.4072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 1.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 1.0272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7345 -4.0244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -4.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 -3.1356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.9588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 -3.1886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.4589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 16 1 0 0 0 0 2 60 1 0 0 0 0 3 15 2 0 0 0 0 4 28 2 0 0 0 0 5 8 1 0 0 0 0 5 10 1 0 0 0 0 5 15 1 0 0 0 0 6 13 1 0 0 0 0 6 18 2 0 0 0 0 7 28 1 0 0 0 0 7 31 1 0 0 0 0 7 61 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 1 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 43 1 0 0 0 0 15 24 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 26 1 0 0 0 0 18 28 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 27 2 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 29 2 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 25 1 0 0 0 0 23 49 1 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 27 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 30 2 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 29 30 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 33 35 1 0 0 0 0 33 64 1 0 0 0 0 34 36 2 0 0 0 0 34 65 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 M END > 60184634 > 1 > 850 > 5 > 2 > 7 > AAADceB7MQAAAAAAAAAAAAAAAAAAAWIAAAA8YIAAAAAAAFgB0AAAHwAQCAAADCjhng4ygJPIEgCoAyVyVACCgCAnAiAImKG4ZNgIcPLA1bGUYQhmhgDIyYeY2fOOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > (3S)-2-acetyl-4-[3-(cyclopenten-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-acetyl-4-[3-(1-cyclopentenyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-acetyl-4-[3-(cyclopenten-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-acetyl-4-[3-(cyclopenten-1-yl)phenyl]-N-[(3-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-4-[3-(cyclopenten-1-yl)phenyl]-2-ethanoyl-N-[(3-fluorophenyl)methyl]-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-acetyl-4-[3-(cyclopenten-1-yl)phenyl]-N-(3-fluorobenzyl)-3-(2-hydroxyethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > InChI=1S/C30H30FN3O3/c1-19(36)34-18-24-16-26(30(37)32-17-20-6-4-11-25(31)14-20)33-29(28(24)27(34)12-13-35)23-10-5-9-22(15-23)21-7-2-3-8-21/h4-7,9-11,14-16,27,35H,2-3,8,12-13,17-18H2,1H3,(H,32,37)/t27-/m0/s1 > IJJSLRKXFDIUGW-MHZLTWQESA-N > 3.5 > 499.22711999 > C30H30FN3O3 > 499.6 > CC(=O)N1CC2=CC(=NC(=C2C1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)NCC5=CC(=CC=C5)F > CC(=O)N1CC2=CC(=NC(=C2[C@@H]1CCO)C3=CC(=CC=C3)C4=CCCC4)C(=O)NCC5=CC(=CC=C5)F > 82.5 > 499.22711999 > 0 > 37 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 14 18 8 17 20 8 17 26 8 20 21 8 21 29 8 26 30 8 29 30 8 32 33 8 32 34 8 33 35 8 34 36 8 35 37 8 36 37 8 6 13 8 6 18 8 8 12 5 9 11 8 9 13 8 $$$$