54649448 -OEChem-04192422582D 71 74 0 1 0 0 0 0 0999 V2000 9.7260 0.7500 0.0000 S 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 -2.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 -0.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7422 -2.1620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.0547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 -1.0052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2260 1.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4315 -1.2115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7260 2.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7549 -0.1509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6798 1.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8913 2.1216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8392 -1.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4325 -1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0454 -1.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4521 -0.5918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2629 2.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0360 3.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1890 2.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7820 0.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6289 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4020 1.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 2.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8230 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 1.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3489 -2.2898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 6 1 6 0 0 0 1 14 1 0 0 0 0 2 35 1 0 0 0 0 4 17 1 0 0 0 0 4 57 1 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 7 15 1 0 0 0 0 7 21 2 0 0 0 0 8 24 1 0 0 0 0 8 30 1 0 0 0 0 8 59 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 1 0 0 0 9 38 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 22 1 0 0 0 0 16 21 1 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 18 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 25 2 0 0 0 0 23 26 2 0 0 0 0 23 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 29 32 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 34 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 35 1 0 0 0 0 32 65 1 0 0 0 0 33 36 2 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 36 37 1 0 0 0 0 36 70 1 0 0 0 0 37 71 1 0 0 0 0 M END > 54649448 > 1 > 793 > 7 > 2 > 9 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB0AAAHwQQSAAADCjh3g4ygJLIEgKoAyVyVEDCgCAnAiAImKG4ZNgIcPLA1bGUYQhmlgDIyYeY2fOOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA== > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > (3S)-2-[(S)-tert-butylsulfinyl]-4-[3-(3-fluorophenyl)phenyl]-3-(2-hydroxyethyl)-N-propyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide > InChI=1S/C29H34FN3O3S/c1-5-13-31-28(35)24-17-22-18-33(37(36)29(2,3)4)25(12-14-34)26(22)27(32-24)21-10-6-8-19(15-21)20-9-7-11-23(30)16-20/h6-11,15-17,25,34H,5,12-14,18H2,1-4H3,(H,31,35)/t25-,37-/m0/s1 > FSCHPCZBUZXFPL-RSUXDYMJSA-N > 4.4 > 523.23049129 > C29H34FN3O3S > 523.7 > CCCNC(=O)C1=NC(=C2C(N(CC2=C1)S(=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F > CCCNC(=O)C1=NC(=C2[C@@H](N(CC2=C1)[S@@](=O)C(C)(C)C)CCO)C3=CC=CC(=C3)C4=CC(=CC=C4)F > 102 > 523.23049129 > 0 > 37 > 2 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 6 6 10 12 8 10 15 8 12 16 8 16 21 8 22 23 8 22 25 8 23 26 8 25 27 8 26 28 8 27 28 8 29 32 8 29 33 8 32 35 8 33 36 8 35 37 8 36 37 8 7 15 8 7 21 8 9 13 5 $$$$