20801186 -OEChem-05231308372D 75 80 0 0 0 0 0 0 0999 V2000 5.9170 5.1363 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.5796 4.4948 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.8032 0.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7068 4.0387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -1.9401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6636 -0.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 -3.4042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8032 -0.8061 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7196 0.8646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 3.5372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3032 -1.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 -1.6722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8032 -2.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3032 -3.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8032 -2.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8032 -4.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 -5.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8032 -4.2702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3032 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 0.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7196 -0.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0302 1.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3624 2.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.5599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3677 2.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9625 3.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9848 3.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.9401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2404 2.9127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 -0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3753 3.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5849 4.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 0.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2158 1.2236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -0.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9232 -1.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2781 -2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2781 -2.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4108 -1.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7206 -1.4601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1955 -4.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8858 -3.6162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 -2.1396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3282 -2.9367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 -3.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4232 -0.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8032 -3.6502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1832 -4.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8032 -4.8902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7662 -5.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6132 -5.6732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8401 -4.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9122 -1.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5772 1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4128 2.3031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 1.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -1.5601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5044 0.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0568 1.9202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -1.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8418 -1.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3042 2.2960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 3.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6307 0.7628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6766 1.6384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8010 1.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 2 36 1 0 0 0 0 2 41 1 0 0 0 0 3 22 2 0 0 0 0 4 13 1 0 0 0 0 4 35 1 0 0 0 0 5 34 1 0 0 0 0 5 37 1 0 0 0 0 6 34 2 0 0 0 0 7 39 1 0 0 0 0 7 44 1 0 0 0 0 8 42 1 0 0 0 0 8 44 1 0 0 0 0 9 44 2 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 14 1 0 0 0 0 11 22 1 0 0 0 0 11 55 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 27 1 0 0 0 0 13 30 2 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 54 1 0 0 0 0 20 59 1 0 0 0 0 20 60 1 0 0 0 0 20 61 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 62 1 0 0 0 0 26 29 1 0 0 0 0 27 30 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 28 32 2 0 0 0 0 28 65 1 0 0 0 0 29 31 2 0 0 0 0 29 66 1 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 34 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 35 36 1 0 0 0 0 36 38 2 0 0 0 0 37 39 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 40 1 0 0 0 0 38 71 1 0 0 0 0 39 42 2 0 0 0 0 40 41 2 0 0 0 0 40 72 1 0 0 0 0 42 43 1 0 0 0 0 43 73 1 0 0 0 0 43 74 1 0 0 0 0 43 75 1 0 0 0 0 M END > 20801186 > 1 > 1120 > 10 > 1 > 10 > AAADceB7uABEAAAAAAAAAAAAAAAAAWLEiAA8QAAAAAAAAFgB/gAAHgYUAAAADC7h3iYyzfPcFAitA6XyXgCDiKAnLzBo2Lm+btoZZvrh97u2MYhm1hnu6ce82eOeCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-2-[(1-isopropyl-4-piperidyl)carbamoyl]indole-5-carboxylate > 1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-2-[oxo-[(1-propan-2-yl-4-piperidinyl)amino]methyl]-5-indolecarboxylic acid (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl ester > (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-5-carboxylate > (5-methyl-2-oxidanylidene-1,3-dioxol-4-yl)methyl 1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]-2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]indole-5-carboxylate > 1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]-2-[(1-isopropyl-4-piperidyl)carbamoyl]indole-5-carboxylic acid (2-keto-5-methyl-1,3-dioxol-4-yl)methyl ester > InChI=1S/C31H31ClN4O7S/c1-17(2)35-10-8-21(9-11-35)33-29(37)24-13-20-12-19(30(38)40-16-26-18(3)41-31(39)42-26)4-5-23(20)36(24)15-22-14-25(43-34-22)27-6-7-28(32)44-27/h4-7,12-14,17,21H,8-11,15-16H2,1-3H3,(H,33,37) > XPOQWRBKJPJWTP-UHFFFAOYSA-N > 5.5 > 638.160198 > C31H31ClN4O7S > 639.11844 > CC1=C(OC(=O)O1)COC(=O)C2=CC3=C(C=C2)N(C(=C3)C(=O)NC4CCN(CC4)C(C)C)CC5=NOC(=C5)C6=CC=C(S6)Cl > CC1=C(OC(=O)O1)COC(=O)C2=CC3=C(C=C2)N(C(=C3)C(=O)NC4CCN(CC4)C(C)C)CC5=NOC(=C5)C6=CC=C(S6)Cl > 153 > 638.160198 > 0 > 44 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 1 5 255 > 12 23 8 12 24 8 13 30 8 2 36 8 2 41 8 23 25 8 24 26 8 24 28 8 25 26 8 26 29 8 28 32 8 29 31 8 30 33 8 31 32 8 33 35 8 36 38 8 38 40 8 39 42 8 4 13 8 4 35 8 40 41 8 7 39 8 7 44 8 8 42 8 8 44 8 $$$$