124147085 -OEChem-09152318103D 59 61 0 0 0 0 0 0 0999 V2000 -3.1654 -0.8581 -1.7340 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6889 -1.4706 0.6802 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3818 -1.2106 2.3986 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.9234 1.9997 -0.7755 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4238 -3.2898 -0.8945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5247 0.2298 -2.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8875 -2.1148 -1.7805 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5002 0.4260 0.8380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5289 -2.3191 -1.6592 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4889 -1.1662 -1.8648 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9886 -2.4297 4.1942 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -3.4108 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9497 -4.6926 -2.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8427 -3.0711 -1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3851 -3.6078 0.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8274 -2.3551 -1.4209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2725 -0.2683 -0.0714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 1.0903 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 -1.1811 0.9601 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2275 1.5359 1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7637 2.7528 -0.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 2.8966 -0.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5801 -0.7355 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5476 2.1375 -0.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8821 2.2582 -0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4477 0.6230 2.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 4.2708 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8113 4.1269 -0.9487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6427 4.8859 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0706 2.7768 -0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9096 1.1240 0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2864 2.1610 -0.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1254 0.5081 1.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3139 1.0266 0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 -1.6705 3.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4838 -0.9782 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6768 -5.5001 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8442 -4.5371 -3.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -5.0661 -1.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5492 -3.8630 -1.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1881 -2.1376 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8915 -2.9344 -2.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -2.6766 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1146 -4.3655 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 -3.9380 0.5856 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -1.4876 -2.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -0.4524 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5918 -2.2430 0.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1373 2.5917 1.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5206 1.0605 -0.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5158 0.9859 3.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4514 4.9072 -0.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7562 4.6113 -1.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6815 5.9571 -1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0957 3.6390 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 0.7057 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.5650 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 -0.3537 1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 -1.5222 0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 36 1 0 0 0 0 3 36 1 0 0 0 0 4 18 1 0 0 0 0 4 21 1 0 0 0 0 5 16 2 0 0 0 0 8 34 1 0 0 0 0 8 36 1 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 9 46 1 0 0 0 0 10 16 1 0 0 0 0 10 47 1 0 0 0 0 11 35 3 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 23 2 0 0 0 0 19 48 1 0 0 0 0 20 26 2 0 0 0 0 20 49 1 0 0 0 0 21 24 1 0 0 0 0 21 28 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 26 1 0 0 0 0 23 35 1 0 0 0 0 24 50 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 30 32 1 0 0 0 0 30 55 1 0 0 0 0 31 33 2 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 57 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 36 59 1 0 0 0 0 M END > DB18302 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RIIKDGPBTPECSW-UHFFFAOYSA-N/SDF?record_type=3d > CC(C)(C)NC(=O)NS(=O)(=O)C1=CC(=CC=C1OC1=CC=CC(=C1)C1=CC=C(OC(F)F)C=C1)C#N > InChI=1S/C25H23F2N3O5S/c1-25(2,3)29-24(31)30-36(32,33)22-13-16(15-28)7-12-21(22)34-20-6-4-5-18(14-20)17-8-10-19(11-9-17)35-23(26)27/h4-14,23H,1-3H3,(H2,29,30,31) > RIIKDGPBTPECSW-UHFFFAOYSA-N > C25H23F2N3O5S > 515.53 > 515.132648353 > 5 > 59 > 0.34061544627094587 > 49.54176971021685 > 0 > 2 > 0 > 0 > 3-tert-butyl-1-(5-cyano-2-{[4'-(difluoromethoxy)-[1,1'-biphenyl]-3-yl]oxy}benzenesulfonyl)urea > 5.284670782333333 > 1 > -1 > 3 > -1 > 17.390829048815775 > 5.542370774494994 > -0.2983653441915461 > 117.52000000000001 > 128.73150000000004 > 7 > 0 > 3-tert-butyl-1-(5-cyano-2-{[4'-(difluoromethoxy)-[1,1'-biphenyl]-3-yl]oxy}benzenesulfonyl)urea > 0 $$$$