10257882 -OEChem-10051722483D 82 86 0 0 0 0 0 0 0999 V2000 -2.6692 -0.4547 1.6468 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 -0.1275 -2.7142 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6323 4.1514 -0.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8153 0.6665 2.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 -1.0379 2.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1665 -4.8955 1.1941 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4601 -0.4815 0.7355 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3211 0.8870 -0.6431 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7148 -1.6859 0.9518 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 -3.5266 1.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -1.0088 -0.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1067 -1.0594 -1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 -2.4435 -0.7208 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4574 -2.5429 -1.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1688 -3.2107 -1.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8316 -0.0468 -1.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 0.5736 0.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3135 1.4141 1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4910 2.0098 -1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2943 2.5622 1.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0283 1.6777 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8823 3.4832 3.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1322 2.5808 -0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5655 0.4659 -1.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2267 2.2720 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8405 4.6554 3.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 1.0602 -0.8602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7935 0.1570 -1.4321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1578 3.2652 0.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0967 0.7161 -0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 0.0325 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9088 1.0860 -1.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0027 -0.2813 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2679 0.7722 -1.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5243 5.1191 -0.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8148 0.0885 -0.7848 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9928 6.0297 -1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 -3.0571 0.9114 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2789 -4.0730 0.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 -5.2086 0.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0301 -3.9577 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8189 -6.6268 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2737 -0.6405 -2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7507 -0.5110 -0.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1246 -2.5211 -1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9745 -2.8764 0.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -2.8745 -0.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2958 -2.7655 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 -3.0866 -2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1526 -4.2805 -1.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 1.7977 1.6394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2978 0.7782 2.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7377 2.2792 -2.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 2.8738 -0.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3924 3.1515 1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2928 2.1529 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8710 3.8676 2.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 2.9164 4.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4937 3.5267 -0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2256 -0.2556 -1.9581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8594 5.2612 2.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8583 4.3071 3.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5300 5.2991 4.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 -0.7880 -1.8468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 2.7888 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6246 3.8405 1.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 1.6207 -2.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4620 -0.8149 1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9004 1.0605 -2.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0127 5.7093 0.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3871 4.6170 0.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8729 -0.1562 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7538 -1.4522 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6834 6.7883 -0.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 5.4526 -2.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 6.5308 -1.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4148 -4.9323 -0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7679 -3.5126 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -3.3232 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9276 -7.0153 0.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6736 -7.2352 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6891 -6.7576 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 31 1 0 0 0 0 2 16 2 0 0 0 0 3 29 1 0 0 0 0 3 35 1 0 0 0 0 6 10 1 0 0 0 0 6 40 1 0 0 0 0 7 11 1 0 0 0 0 7 17 2 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 9 38 1 0 0 0 0 9 73 1 0 0 0 0 10 38 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 21 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 22 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 26 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 25 1 0 0 0 0 23 59 1 0 0 0 0 24 28 2 0 0 0 0 24 60 1 0 0 0 0 25 27 2 0 0 0 0 25 29 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 26 63 1 0 0 0 0 27 28 1 0 0 0 0 27 30 1 0 0 0 0 28 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 33 2 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 37 1 0 0 0 0 35 70 1 0 0 0 0 35 71 1 0 0 0 0 36 72 1 0 0 0 0 37 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 40 42 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 42 82 1 0 0 0 0 M END > DB12548 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WRFHGDPIDHPWIQ-UHFFFAOYSA-N/SDF?record_type=3d > CCCCC1=NC2(CCCC2)C(=O)N1CC1=CC=C(C(COCC)=C1)C1=CC=CC=C1S(=O)(=O)NC1=NOC(C)=C1C > InChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35) > WRFHGDPIDHPWIQ-UHFFFAOYSA-N > C32H40N4O5S > 592.76 > 592.271941578 > 6 > 82 > 66.65371532080474 > 0 > 1 > 0 > 0 > 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-(ethoxymethyl)-[1,1'-biphenyl]-2-sulfonamide > 5.56 > 6.056118933999997 > -4.69 > 1 > 5 > -1 > 5.687915383735999 > 3.5231724399615834 > 114.10000000000001 > 164.44820000000007 > 11 > 0 > 1.22e-02 g/l > 4'-({2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl}methyl)-N-(4,5-dimethyl-1,2-oxazol-3-yl)-2'-(ethoxymethyl)-[1,1'-biphenyl]-2-sulfonamide > 0 $$$$