5080386 -OEChem-05132413222D 63 67 0 1 0 0 0 0 0999 V2000 10.6561 -2.2529 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8433 2.3418 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5999 0.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5900 0.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -1.7850 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.0830 -1.6032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1561 -0.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3929 -1.9820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5084 -2.9754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9221 -2.6565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1285 -1.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9956 -0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8186 -0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 -1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5326 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5421 -0.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0048 -2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7551 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0025 -2.5391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7222 0.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1561 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7796 -0.8441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5570 -1.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2855 1.6650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7701 -0.5217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3096 -2.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2827 1.5903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8516 2.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5391 -1.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3073 -2.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 2.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4150 3.3922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4122 3.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2258 -1.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7066 -3.5628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 -2.8397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1019 -3.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 -3.9257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4165 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5124 -3.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4135 -0.7541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6358 -0.9285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5955 -0.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9455 -0.2581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2186 -2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -0.1653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3827 -0.7246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9420 -1.3998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4111 0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 -2.6632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2784 1.2717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2188 0.4768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1475 -3.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9010 0.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1646 -3.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5517 1.0317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 2.6123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1308 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7601 -2.6633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 3.9508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7614 3.8297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 33 1 0 0 0 0 3 15 2 0 0 0 0 4 23 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 47 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 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 41 1 0 0 0 0 11 42 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 14 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 51 1 0 0 0 0 19 21 2 0 0 0 0 19 52 1 0 0 0 0 20 21 1 0 0 0 0 21 55 1 0 0 0 0 22 26 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 27 2 0 0 0 0 25 28 2 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 27 31 1 0 0 0 0 27 56 1 0 0 0 0 28 32 1 0 0 0 0 28 57 1 0 0 0 0 29 33 1 0 0 0 0 29 58 1 0 0 0 0 30 34 2 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 M END > 5080386 > 1 > 754 > 5 > 1 > 6 > AAADceB7MQBAAAAAAAAAAAAAAAAAAWAAAAAwYMAABYAAAAABUAAAHwQQAAAADCjB2AwywYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-[(3-fluorophenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[(1-ethylpyrrolidin-2-yl)methyl]-5-[(3-fluorophenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(3-fluorobenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C28H28FN3O2S/c1-2-31-14-6-9-22(31)17-30-27(33)20-12-13-26-24(16-20)32(18-19-7-5-8-21(29)15-19)28(34)23-10-3-4-11-25(23)35-26/h3-5,7-8,10-13,15-16,22H,2,6,9,14,17-18H2,1H3,(H,30,33) > HJHHRLIJLGIZMN-UHFFFAOYSA-N > 4.9 > 489.18862648 > C28H28FN3O2S > 489.6 > CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)F > CCN1CCCC1CNC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3CC5=CC(=CC=C5)F > 78 > 489.18862648 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 16 18 8 16 19 8 17 18 8 17 20 8 19 21 8 20 21 8 24 25 8 24 27 8 25 28 8 26 29 8 26 30 8 27 31 8 28 32 8 29 33 8 30 34 8 31 32 8 33 35 8 34 35 8 8 12 3 $$$$