54575456 -OEChem-10051722363D 60 64 0 0 0 0 0 0 0999 V2000 0.8561 1.1729 1.7289 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 5.6874 -0.4181 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7685 -2.3028 -1.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5804 -1.4923 -2.9588 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7600 0.9136 -3.1947 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3276 2.9863 0.2372 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7711 1.1172 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1799 -1.0794 0.8375 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -1.8371 2.2251 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9927 -0.2380 0.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 -2.5745 0.5537 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5199 -2.5766 -1.0995 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9199 0.6238 -2.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 3.9246 0.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1592 3.3847 -0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 1.6301 0.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 4.8279 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9624 5.3385 0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 0.8000 1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0050 -0.5457 1.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -0.4370 2.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0376 -1.2508 1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -0.7938 2.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9873 -0.1925 0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2464 -0.7096 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 -3.2165 2.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 -1.5360 1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3757 0.0993 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3699 -2.0286 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5769 -0.4283 -0.7644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5963 -1.7600 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7995 0.0169 -0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3227 -2.2478 -0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4961 -0.9570 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -0.6452 -2.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7337 -3.6736 -1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4362 3.3149 -1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2157 3.6591 0.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 3.8833 -0.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 2.7489 -0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5849 4.9258 0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0067 5.1667 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 6.0549 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6059 5.4387 1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0015 -2.3049 2.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0127 0.0759 3.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1122 -1.1335 3.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5342 -3.8463 1.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8817 -3.6215 3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 -3.2952 3.5142 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3525 1.1408 0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5324 -2.7202 -0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4673 0.1886 -0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8373 1.0660 -0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8257 -3.0906 -0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7353 -3.9545 -2.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4751 -4.3107 -1.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0393 -3.8335 -2.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7600 1.3802 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6280 0.7637 -2.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 31 1 0 0 0 0 3 36 1 0 0 0 0 4 35 2 0 0 0 0 5 13 1 0 0 0 0 5 60 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 16 2 0 0 0 0 7 24 1 0 0 0 0 8 20 1 0 0 0 0 8 24 2 0 0 0 0 9 23 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 27 2 0 0 0 0 10 32 1 0 0 0 0 11 27 1 0 0 0 0 11 33 2 0 0 0 0 12 29 1 0 0 0 0 12 31 2 0 0 0 0 13 35 1 0 0 0 0 13 59 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 37 1 0 0 0 0 15 40 1 0 0 0 0 16 19 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 36 58 1 0 0 0 0 M END > DB11891 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/JOWXJLIFIIOYMS-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC=C(C=N1)C1=NC(N2CCOCC2)=C2SC(CN(C)C3=NC=C(C=N3)C(=O)NO)=CC2=N1 > InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) > JOWXJLIFIIOYMS-UHFFFAOYSA-N > C23H24N8O4S > 508.56 > 508.164122459 > 11 > 60 > 53.00569532828056 > 0 > 2 > 0 > 0 > N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide > 2.59 > 2.784270751333334 > -4.52 > 1 > 5 > 0 > 18.295882050413898 > 9.235002789836603 > 3.36244369217179 > 138.72 > 145.8165 > 7 > 0 > 1.53e-02 g/l > N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide > 0 $$$$