69294169 -OEChem-04252413452D 72 76 0 1 0 0 0 0 0999 V2000 17.1164 0.5076 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 15.6236 -0.4656 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 1.9372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 1.9372 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 1.8986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2983 -2.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2493 2.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5628 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 1.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -0.8676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.0628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3040 -2.9372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.9372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9372 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 0.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 -1.8181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9171 1.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8956 -2.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6376 -1.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5045 -1.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4174 -1.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2842 -1.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0262 -1.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6179 -0.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0365 1.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -1.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -0.4552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.3295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 -1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.5378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -2.0628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 2.3401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7881 1.2663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -0.8728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.6828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 -1.9054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 -2.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5718 -0.7374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0883 2.4880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3501 -2.5591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6329 -1.4000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 44 1 0 0 0 0 2 41 1 0 0 0 0 2 44 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 6 24 2 0 0 0 0 7 28 2 0 0 0 0 8 37 1 0 0 0 0 8 70 1 0 0 0 0 9 16 1 0 0 0 0 9 40 1 0 0 0 0 10 37 2 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 11 23 1 0 0 0 0 12 22 1 0 0 0 0 12 28 1 0 0 0 0 12 55 1 0 0 0 0 13 24 1 0 0 0 0 13 62 1 0 0 0 0 13 63 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 36 1 0 0 0 0 15 35 2 0 0 0 0 16 38 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 23 26 1 0 0 0 0 23 27 1 0 0 0 0 23 54 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 31 34 2 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 34 66 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 69 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 43 44 2 0 0 0 0 43 72 1 0 0 0 0 M END > 69294169 > 1 > 1080 > 12 > 3 > 9 > AAADceB7uYBEAAAAAAAAAAAAAAAAAWLEgAA8QAAAAAAAAFgB/gAAHwYcCAAADS7B3jQyzfPYAgivA6XyXgSTBIAnrxB42Lm+btoKZrrh19OU9Yhm3hno2ce8yfCeiAACAAACAAAQAAQAAAQAAAAAAAAAAA== > 5-[[1-(3-carbamoyl-1-isopropyl-4-piperidyl)-2,2,2-trifluoro-ethyl]carbamoyl]-1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indazole-3-carboxylic acid > 5-[[[1-(3-carbamoyl-1-propan-2-yl-4-piperidinyl)-2,2,2-trifluoroethyl]amino]-oxomethyl]-1-[[5-(5-chloro-2-thiophenyl)-3-isoxazolyl]methyl]-3-indazolecarboxylic acid > 5-[[1-(3-carbamoyl-1-propan-2-ylpiperidin-4-yl)-2,2,2-trifluoroethyl]carbamoyl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indazole-3-carboxylic acid > 5-[[1-(3-carbamoyl-1-propan-2-ylpiperidin-4-yl)-2,2,2-trifluoroethyl]carbamoyl]-1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]indazole-3-carboxylic acid > 5-[[1-(3-aminocarbonyl-1-propan-2-yl-piperidin-4-yl)-2,2,2-tris(fluoranyl)ethyl]carbamoyl]-1-[[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]methyl]indazole-3-carboxylic acid > 5-[[1-(3-carbamoyl-1-isopropyl-4-piperidyl)-2,2,2-trifluoro-ethyl]carbamoyl]-1-[[5-(5-chloro-2-thienyl)isoxazol-3-yl]methyl]indazole-3-carboxylic acid > InChI=1S/C28H28ClF3N6O5S/c1-13(2)37-8-7-16(18(12-37)25(33)39)24(28(30,31)32)34-26(40)14-3-4-19-17(9-14)23(27(41)42)35-38(19)11-15-10-20(43-36-15)21-5-6-22(29)44-21/h3-6,9-10,13,16,18,24H,7-8,11-12H2,1-2H3,(H2,33,39)(H,34,40)(H,41,42) > LPTXUQCNCWHBSB-UHFFFAOYSA-N > 2.1 > 652.1482514 > C28H28ClF3N6O5S > 653.1 > CC(C)N1CCC(C(C1)C(=O)N)C(C(F)(F)F)NC(=O)C2=CC3=C(C=C2)N(N=C3C(=O)O)CC4=NOC(=C4)C5=CC=C(S5)Cl > CC(C)N1CCC(C(C1)C(=O)N)C(C(F)(F)F)NC(=O)C2=CC3=C(C=C2)N(N=C3C(=O)O)CC4=NOC(=C4)C5=CC=C(S5)Cl > 185 > 652.1482514 > 0 > 44 > 0 > 3 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 15 8 14 33 8 15 35 8 16 38 8 17 19 3 18 24 3 2 41 8 2 44 8 22 25 3 29 30 8 29 31 8 30 32 8 31 34 8 32 33 8 32 35 8 33 34 8 38 39 8 39 40 8 41 42 8 42 43 8 43 44 8 9 16 8 9 40 8 $$$$