11677589 -OEChem-10051722533D 64 67 0 0 0 0 0 0 0999 V2000 -5.4629 -0.0420 1.0027 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.9115 -0.3140 2.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4237 0.1974 -0.0567 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 1.8168 -1.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 -0.0222 -0.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4261 -2.1068 -0.2353 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6354 -0.4759 0.6386 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 2.9720 0.2128 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3239 1.2325 1.0295 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9949 0.0665 0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3667 -1.3401 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 -1.2466 0.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7586 1.0428 -0.2114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0066 -1.8091 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 1.1417 0.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7985 -1.5003 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0308 3.1624 -0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.4248 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5658 1.7057 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 4.3010 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1390 0.7854 0.6837 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1702 2.4896 0.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6670 2.7705 -1.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 3.8761 -0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7544 -1.8319 -2.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3927 -2.8666 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1191 1.8622 1.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9176 2.0043 -0.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 -1.3910 0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8029 -2.1617 1.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3192 -1.6523 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -3.5042 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0028 -3.2266 1.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -2.7171 -1.2899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -4.6433 -0.7884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8829 -2.8296 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2306 -1.2125 -0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4632 2.1627 0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 0.9090 1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1053 1.4124 -2.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6441 5.0352 -1.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9941 4.8324 0.5578 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3628 2.7856 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5181 3.2857 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0724 4.7570 -0.7882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 3.4084 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 -2.4738 -2.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 -2.2209 -2.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8263 -0.8321 -2.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2660 -3.3059 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9022 -3.5112 1.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4629 -2.8398 0.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8166 2.3799 1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1197 1.4477 1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1827 2.5876 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 3.0966 1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9291 1.4846 1.9443 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8960 -1.9565 2.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8183 -1.0498 -1.6278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4946 -3.8328 1.7596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -2.9231 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5830 -5.5737 -0.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1348 -4.7563 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6275 -4.4859 -1.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 29 1 0 0 0 0 4 28 2 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 16 2 0 0 0 0 7 21 1 0 0 0 0 8 24 1 0 0 0 0 8 28 1 0 0 0 0 8 56 1 0 0 0 0 9 28 1 0 0 0 0 9 57 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 25 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 21 2 0 0 0 0 15 38 1 0 0 0 0 16 26 1 0 0 0 0 17 20 1 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 23 2 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 27 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 33 1 0 0 0 0 30 58 1 0 0 0 0 31 34 2 0 0 0 0 31 59 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 M END > DB12836 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HZVLFTCYCLXTGV-UHFFFAOYSA-N/SDF?record_type=3d > CCC1=NC2=C(C)N=C(C)C=C2N1C1=CC=C(CCNC(=O)NS(=O)(=O)C2=CC=C(C)C=C2)C=C1 > InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32) > HZVLFTCYCLXTGV-UHFFFAOYSA-N > C26H29N5O3S > 491.61 > 491.199110988 > 5 > 64 > 53.815891725663626 > 1 > 2 > 0 > 0 > 3-[2-(4-{2-ethyl-4,6-dimethyl-1H-imidazo[4,5-c]pyridin-1-yl}phenyl)ethyl]-1-(4-methylbenzenesulfonyl)urea > 4.06 > 2.2658505721415954 > -4.92 > 1 > 4 > 0 > 18.179628979705143 > 4.333396944482124 > 6.859610217324214 > 105.97999999999999 > 145.76179999999997 > 6 > 1 > 5.95e-03 g/l > 3-[2-(4-{2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl}phenyl)ethyl]-1-(4-methylbenzenesulfonyl)urea > 0 $$$$