24770445 -OEChem-02202016373D 74 75 0 0 0 0 0 0 0999 V2000 6.0556 0.5640 -0.4363 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3219 -0.0502 0.2857 P 0 0 0 0 0 0 0 0 0 0 0 0 1.4453 0.2875 0.2904 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4879 0.2934 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8796 3.0833 -0.3622 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8167 -2.6248 0.0007 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1752 0.9542 -1.1835 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6438 -2.2030 2.2562 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3083 0.6372 -2.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4104 0.6844 -1.2118 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2117 -1.6704 -0.0705 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 1.2366 1.7088 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1216 1.5502 1.7920 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 2.0216 -1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6331 -2.6500 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 0.4032 0.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2508 2.9301 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 2.5148 -2.7497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -2.3841 2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 -4.0522 0.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 1.9262 -0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1322 -2.4615 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 0.9151 2.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4606 -1.6955 -1.7687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4153 0.7304 1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8699 1.1275 2.3315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 0.7739 0.7977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6953 -0.1595 -1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3524 0.3643 -0.4198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6882 -2.2951 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2241 -1.9888 -2.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3114 -2.3614 -0.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 3.1237 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2374 -2.4742 0.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9753 1.1715 1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5542 4.4620 0.6607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8385 -2.6843 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5703 0.6123 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3426 -1.9736 -0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 2.8738 -0.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 3.9813 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4963 2.7188 0.7265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 1.8476 -3.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2483 3.5073 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 2.5869 -3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 -1.4556 2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -3.1853 2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2295 -2.3676 2.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -4.2267 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7237 -4.8175 1.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2747 -4.2210 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 1.1129 2.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3982 1.5224 3.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5959 -2.1888 -1.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8720 -1.7901 -3.4376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 -3.3631 -2.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0434 -3.0653 -2.7238 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3362 -1.5773 -3.6408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3298 -1.5312 -2.1945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1920 -3.4460 -0.5085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1856 -2.2118 0.2477 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 -2.0083 0.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4643 2.3170 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8863 2.9931 -0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4763 -1.4666 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6419 -3.2150 0.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9204 4.6147 1.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 5.2797 -0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6026 4.5271 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4292 -1.9615 -2.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5917 -3.6810 -1.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -2.5757 -1.2596 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0259 1.4839 1.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1183 1.9149 2.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 1 35 1 0 0 0 0 2 4 2 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 5 21 1 0 0 0 0 5 33 1 0 0 0 0 6 22 1 0 0 0 0 6 34 1 0 0 0 0 7 21 2 0 0 0 0 8 22 2 0 0 0 0 9 28 2 0 0 0 0 10 14 1 0 0 0 0 10 38 1 0 0 0 0 11 15 1 0 0 0 0 11 39 1 0 0 0 0 12 27 1 0 0 0 0 12 35 2 0 0 0 0 13 35 1 0 0 0 0 13 73 1 0 0 0 0 13 74 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 23 2 0 0 0 0 17 40 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 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 23 26 1 0 0 0 0 23 52 1 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 24 32 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 53 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 33 36 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 34 37 1 0 0 0 0 34 65 1 0 0 0 0 34 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 M END > DB05053 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CTKZZUXRWBCFEI-UHFFFAOYSA-N/SDF?record_type=3d > CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)C1=CC=C(O1)C1=C(SC(N)=N1)C(=O)C(C)(C)C > InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32) > CTKZZUXRWBCFEI-UHFFFAOYSA-N > C24H37N4O7PS > 556.61 > 556.212057719 > 6 > 74 > 8.166293391842858e-06 > 57.12905906900353 > 0 > 3 > 0 > 0 > ethyl 2-[({5-[2-amino-5-(2,2-dimethylpropanoyl)-1,3-thiazol-4-yl]furan-2-yl}[(1-ethoxy-2-methyl-1-oxopropan-2-yl)amino]phosphoryl)amino]-2-methylpropanoate > 2.53 > 2.7149999999999985 > -4.17 > 0 > 0 > 2 > 0 > 19.37582531613165 > 15.412404937105789 > 1.9122347257330838 > 162.85 > 139.40939999999998 > 14 > 0 > 3.79e-02 g/l > 2',4,4'-trihydroxychalcone > 0 $$$$