56640146 -OEChem-10051722053D 62 65 0 0 0 0 0 0 0999 V2000 7.5190 1.5966 0.1332 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -3.0057 -0.1733 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 2.7765 -1.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5948 4.5826 0.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8933 1.6306 -0.3312 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5546 2.5657 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0471 1.4187 0.1486 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 3.6664 -0.3588 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9224 -0.0086 -0.0493 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3941 -3.4923 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 -2.1163 0.0695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4496 -1.9230 -0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9422 -3.4469 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1461 -4.4066 -1.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 -4.2698 1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9325 -0.6303 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6756 -1.0167 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 0.2760 0.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 0.4692 -0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4867 -0.4066 -0.3515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3873 -0.8760 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -0.6665 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9521 0.2773 -1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2411 0.0289 -0.6849 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3202 0.4943 -1.6376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7296 2.6161 -0.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2216 1.3497 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -1.1320 1.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 0.2384 -0.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -0.2310 0.1196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 -3.1503 -1.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -0.9150 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0892 2.3545 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8174 3.6393 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5709 1.7126 1.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1029 -4.7087 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9062 -3.6877 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -4.5143 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 -5.2206 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -3.8893 -2.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7310 -5.3319 -1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4502 -2.9995 -0.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2385 -2.9271 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -4.4640 0.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7480 -1.1272 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3509 1.4640 -0.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0225 -1.4016 1.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2676 0.6455 -2.2314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6617 1.0301 -2.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 0.7609 -1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 -1.6689 2.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4245 0.4317 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0885 -4.2004 -1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1949 -2.9337 -1.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2442 -2.5485 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7494 -1.2839 1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4266 4.5358 -0.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9837 2.2591 1.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5139 -0.7434 0.3617 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0051 2.6807 2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 1.6482 2.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 0.9103 2.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 35 1 0 0 0 0 2 12 1 0 0 0 0 2 31 1 0 0 0 0 3 26 2 0 0 0 0 4 34 2 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 26 1 0 0 0 0 8 34 1 0 0 0 0 8 57 1 0 0 0 0 9 30 1 0 0 0 0 9 59 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 2 0 0 0 0 12 16 2 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 36 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 22 24 2 0 0 0 0 22 28 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 49 1 0 0 0 0 27 33 2 0 0 0 0 27 52 1 0 0 0 0 28 32 2 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 M END > DB09183 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NBRBXGKOEOGLOI-UHFFFAOYSA-N/SDF?record_type=3d > COC1=C(C=C(C=C1C1=CC2=CC=C(NS(C)(=O)=O)C=C2C=C1)N1C=CC(=O)NC1=O)C(C)(C)C > InChI=1S/C26H27N3O5S/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18/h6-15,28H,1-5H3,(H,27,30,31) > NBRBXGKOEOGLOI-UHFFFAOYSA-N > C26H27N3O5S > 493.58 > 493.167142155 > 5 > 62 > 53.18662768621272 > 1 > 2 > 0 > 0 > N-{6-[3-tert-butyl-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide > 4.70 > 3.423569820333332 > -5.79 > 0 > 4 > 0 > 9.785210072487475 > 9.086756190176981 > -4.829248332050629 > 104.81 > 134.04229999999995 > 5 > 1 > 7.99e-04 g/l > N-{6-[3-tert-butyl-5-(2,4-dioxo-3H-pyrimidin-1-yl)-2-methoxyphenyl]naphthalen-2-yl}methanesulfonamide > 0 $$$$