5307352 -OEChem-05112416502D 61 65 0 1 0 0 0 0 0999 V2000 10.8356 -2.6983 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 12.1550 3.6983 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.7794 -0.3955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7695 0.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8355 -3.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 -2.1290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2625 -2.0486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3356 -0.5076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2984 -1.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8155 -2.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2984 -1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5724 -2.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3080 -1.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7121 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9981 -1.3712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9526 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9346 -2.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7216 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9017 0.3933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3356 -0.5076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9591 -1.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7365 -2.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1843 -2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1820 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4650 1.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9496 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4891 -2.9846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7186 -1.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0311 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4622 1.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4868 -2.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5945 2.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0256 1.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5917 2.8720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -1.0458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2267 -0.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4058 -3.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -3.1819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3564 -0.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6906 -1.0704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4308 -1.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6960 -2.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2874 -2.9781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0651 -2.8037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5930 -1.1995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8153 -1.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -2.6536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5906 -0.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4579 0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3983 0.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3270 -3.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 -3.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0805 -0.3611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3441 -3.5874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4129 2.1669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7312 0.5862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3103 -1.4847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9396 -3.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3255 3.5054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6438 1.9247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 35 1 0 0 0 0 3 16 2 0 0 0 0 4 21 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 48 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 12 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 19 49 1 0 0 0 0 20 26 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 52 1 0 0 0 0 26 30 2 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 32 2 0 0 0 0 29 58 1 0 0 0 0 30 33 1 0 0 0 0 30 56 1 0 0 0 0 31 34 2 0 0 0 0 31 57 1 0 0 0 0 32 59 1 0 0 0 0 33 35 2 0 0 0 0 33 60 1 0 0 0 0 34 35 1 0 0 0 0 34 61 1 0 0 0 0 M END > 5307352 > 1 > 784 > 6 > 1 > 6 > AAADceB7MQBAAAAAAAAAAAAAAAAAAWAAAAAwYMAABYAAAAABUAAAHwQQAAAADAjB2AwwwYPAAAqIAiVSUEDCAAAlChAIiJ0IZMgIYDLglZGUIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > 5-[(4-fluorophenyl)methyl]-6,11-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(4-fluorophenyl)methyl]-6,11-dioxo-N-[2-(1-pyrrolidinyl)ethyl]-3-benzo[b][1,4]benzothiazepinecarboxamide > 5-[(4-fluorophenyl)methyl]-6,11-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(4-fluorophenyl)methyl]-6,11-dioxo-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide > 5-[(4-fluorophenyl)methyl]-6,11-bis(oxidanylidene)-N-(2-pyrrolidin-1-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide > 5-(4-fluorobenzyl)-6,11-diketo-N-(2-pyrrolidinoethyl)benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C27H26FN3O3S/c28-21-10-7-19(8-11-21)18-31-23-17-20(26(32)29-13-16-30-14-3-4-15-30)9-12-25(23)35(34)24-6-2-1-5-22(24)27(31)33/h1-2,5-12,17H,3-4,13-16,18H2,(H,29,32) > DFTUJRGPIRVNGV-UHFFFAOYSA-N > 3.2 > 491.16789104 > C27H26FN3O3S > 491.6 > C1CCN(C1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F > C1CCN(C1)CCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F > 88.9 > 491.16789104 > 0 > 35 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 23 3 15 18 8 15 19 8 17 19 8 17 24 8 18 25 8 22 23 8 22 27 8 23 28 8 24 25 8 26 30 8 26 31 8 27 29 8 28 32 8 29 32 8 30 33 8 31 34 8 33 35 8 34 35 8 $$$$