58538866 -OEChem-05042412152D 70 74 0 0 0 0 0 0 0999 V2000 12.7522 -1.0159 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.4198 4.1559 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8332 -0.0482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 1.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3504 -3.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5750 -1.7609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7522 1.2311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6164 -3.9904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3514 -2.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7818 -4.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9739 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9627 -2.3936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5862 -1.6118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1985 -0.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1873 -1.1281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 0.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9748 2.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3434 0.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7773 -0.7934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 -0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2417 2.8862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1650 -1.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1538 -1.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8108 -0.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4280 1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7996 -0.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5415 -2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4280 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3341 0.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4642 3.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2861 2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3341 -0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7312 4.5413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5531 3.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7756 4.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -4.5407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1936 -3.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4438 -2.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7513 -2.8256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3467 -4.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 -5.0202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4455 -3.6405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 -4.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1713 -1.6569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4294 -1.9481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7652 -2.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 -2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 -1.3153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8015 -2.3380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5461 1.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3111 2.7268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8587 0.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8587 -0.2790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 -2.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5843 0.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1661 -2.5437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 1.7622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1862 -0.0105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7680 -2.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4208 -1.5470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8698 0.9405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1482 1.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8698 -0.7253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8691 5.1457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9606 3.0889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3211 4.6682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 33 1 0 0 0 0 3 15 2 0 0 0 0 4 20 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 53 1 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 10 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 11 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 15 16 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 22 1 0 0 0 0 17 28 2 0 0 0 0 18 23 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 21 25 2 0 0 0 0 22 31 2 0 0 0 0 23 33 1 0 0 0 0 23 34 2 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 58 1 0 0 0 0 26 29 1 0 0 0 0 26 59 1 0 0 0 0 27 30 2 0 0 0 0 27 60 1 0 0 0 0 28 32 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 30 63 1 0 0 0 0 31 35 1 0 0 0 0 31 64 1 0 0 0 0 32 35 2 0 0 0 0 32 65 1 0 0 0 0 33 36 2 0 0 0 0 34 37 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 38 1 0 0 0 0 36 68 1 0 0 0 0 37 38 2 0 0 0 0 37 69 1 0 0 0 0 38 70 1 0 0 0 0 M END > 58538866 > 1 > 824 > 5 > 1 > 8 > AAADcfB7MQBAAAAAAAAAAAAAAAAAAWAAAAAwYMAABYAAAAABUAAAHwQQAAAADAjB2AwwwYPAAAiIAiVSUACCAAAlChAIiJ0IZMgIIDLg1ZGEIQhglgDoyYcYiACOQAAAAAAAAQCAAAAAAAACAAAAAAAAAA== > 4-[(E)-[5-[(2-fluorophenyl)methyl]-4-oxo-1,5-benzothiazepin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide > 4-[(E)-[5-[(2-fluorophenyl)methyl]-4-oxo-1,5-benzothiazepin-2-ylidene]methyl]-N-[3-(1-pyrrolidinyl)propyl]benzamide > 4-[(E)-[5-[(2-fluorophenyl)methyl]-4-oxo-1,5-benzothiazepin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide > 4-[(E)-[5-[(2-fluorophenyl)methyl]-4-oxo-1,5-benzothiazepin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide > 4-[(E)-[5-[(2-fluorophenyl)methyl]-4-oxidanylidene-1,5-benzothiazepin-2-ylidene]methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide > 4-[(E)-[5-(2-fluorobenzyl)-4-keto-1,5-benzothiazepin-2-ylidene]methyl]-N-(3-pyrrolidinopropyl)benzamide > InChI=1S/C31H32FN3O2S/c32-27-9-2-1-8-25(27)22-35-28-10-3-4-11-29(28)38-26(21-30(35)36)20-23-12-14-24(15-13-23)31(37)33-16-7-19-34-17-5-6-18-34/h1-4,8-15,20H,5-7,16-19,21-22H2,(H,33,37)/b26-20+ > WGFCGKBPVWXKOX-LHLOQNFPSA-N > 5.2 > 529.21992661 > C31H32FN3O2S > 529.7 > C1CCN(C1)CCCNC(=O)C2=CC=C(C=C2)C=C3CC(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F > C1CCN(C1)CCCNC(=O)C2=CC=C(C=C2)/C=C/3\CC(=O)N(C4=CC=CC=C4S3)CC5=CC=CC=C5F > 78 > 529.21992661 > 0 > 38 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 16 26 8 16 27 8 17 22 8 17 28 8 22 31 8 23 33 8 23 34 8 24 29 8 24 30 8 26 29 8 27 30 8 28 32 8 31 35 8 32 35 8 33 36 8 34 37 8 36 38 8 37 38 8 $$$$