56673915 -OEChem-05142407532D 73 77 0 1 0 0 0 0 0999 V2000 12.5978 -1.4540 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.7962 3.4395 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5416 0.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5317 1.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5978 -2.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 -1.5621 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0247 -0.8043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0978 0.7366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 -1.9410 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1276 -3.2152 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1732 -2.9168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8633 -2.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3802 -0.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3464 -4.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3346 -1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.5059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7604 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7148 -0.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4743 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4838 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6969 -1.0201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9466 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6640 1.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9443 -1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0978 0.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7213 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4988 -1.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2273 2.4638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7118 0.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2513 -1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4808 -0.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2490 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 3.3648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2245 2.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3567 4.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7878 3.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3539 4.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8188 -1.3360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6715 -3.6352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 -2.9453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0937 -3.5317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9751 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1973 -0.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1976 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -2.2993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6652 -0.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8874 -0.5085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -1.0508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.4575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -2.2343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7414 -4.3266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4820 -4.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9514 -4.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0496 -1.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8274 -1.5595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 0.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5775 -0.1296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1604 -1.4093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3529 0.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -1.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2201 2.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1606 1.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0892 -2.3431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8428 0.8831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1064 -2.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0726 -0.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7019 -1.8645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4935 1.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0877 4.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4061 3.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7032 4.6286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 1 29 1 0 0 0 0 2 35 1 0 0 0 0 3 19 2 0 0 0 0 4 27 2 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 60 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 15 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 10 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 17 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 52 1 0 0 0 0 16 53 1 0 0 0 0 16 54 1 0 0 0 0 16 55 1 0 0 0 0 17 18 1 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 18 58 1 0 0 0 0 18 59 1 0 0 0 0 19 20 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 22 61 1 0 0 0 0 23 26 1 0 0 0 0 24 26 2 0 0 0 0 24 62 1 0 0 0 0 25 30 1 0 0 0 0 25 63 1 0 0 0 0 25 64 1 0 0 0 0 26 65 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 31 2 0 0 0 0 29 32 2 0 0 0 0 30 35 1 0 0 0 0 30 36 2 0 0 0 0 31 33 1 0 0 0 0 31 66 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 34 2 0 0 0 0 33 68 1 0 0 0 0 34 69 1 0 0 0 0 35 37 2 0 0 0 0 36 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 39 2 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 M END > 56673915 > 1 > 879 > 6 > 1 > 7 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAAAAAAA8YMEABYAAAAABUAAAHwQQAAAADQjB2AwywYPAAAqIAiVSUEDCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcciACOEAAAQAAEAQAgAACAAAgCAAAAAAAAAA== > N-[3-(3,5-dimethyl-1-piperidyl)propyl]-5-[(2-fluorophenyl)methyl]-6,11-dioxo-benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-5-[(2-fluorophenyl)methyl]-6,11-dioxo-3-benzo[b][1,4]benzothiazepinecarboxamide > N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-[(2-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-[(2-fluorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-[(2-fluorophenyl)methyl]-6,11-bis(oxidanylidene)benzo[b][1,4]benzothiazepine-3-carboxamide > N-[3-(3,5-dimethylpiperidino)propyl]-5-(2-fluorobenzyl)-6,11-diketo-benzo[b][1,4]benzothiazepine-3-carboxamide > InChI=1S/C31H34FN3O3S/c1-21-16-22(2)19-34(18-21)15-7-14-33-30(36)23-12-13-29-27(17-23)35(20-24-8-3-5-10-26(24)32)31(37)25-9-4-6-11-28(25)39(29)38/h3-6,8-13,17,21-22H,7,14-16,18-20H2,1-2H3,(H,33,36) > LREBZSFQVNJDOZ-UHFFFAOYSA-N > 4.8 > 547.23049129 > C31H34FN3O3S > 547.7 > CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F)C > CC1CC(CN(C1)CCCNC(=O)C2=CC3=C(C=C2)S(=O)C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5F)C > 88.9 > 547.23049129 > 0 > 39 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 29 3 10 16 3 20 22 8 20 24 8 21 22 8 21 23 8 23 26 8 24 26 8 28 29 8 28 31 8 29 32 8 30 35 8 30 36 8 31 33 8 32 34 8 33 34 8 35 37 8 36 38 8 37 39 8 38 39 8 9 15 3 $$$$