60870 -OEChem-05171813523D 50 53 0 1 0 0 0 0 0999 V2000 3.1225 0.1085 0.7487 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5902 -1.6079 -1.7370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 1.6904 2.2836 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0852 2.5928 -2.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6418 -0.6332 0.8716 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0489 0.9989 -0.6728 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 -1.3400 0.2957 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0232 2.5582 0.1371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6919 1.3550 -0.5039 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5585 2.3160 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6405 -0.1835 -0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4977 1.3163 -0.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1374 1.8687 0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3318 -0.8228 -0.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5509 1.6358 1.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1618 1.7713 1.6093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3699 2.6409 -0.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 1.7367 -1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 1.5462 1.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7255 2.4160 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7816 -0.9706 -1.9093 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 -1.7946 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8215 0.0905 0.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1594 -0.6207 -3.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 -2.4612 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -2.8685 -0.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -2.7074 1.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7947 -3.5166 -0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 -3.3554 1.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9678 -3.7601 0.9803 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5292 2.8677 1.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1091 3.4338 -0.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 0.8821 -1.2652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0441 -0.6826 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3656 -0.3397 -1.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2208 1.8479 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4806 1.7228 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8826 1.5266 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 3.0707 -1.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 1.1162 2.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4196 2.7123 -1.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9861 1.1372 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 0.1886 -3.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2874 -0.2886 -3.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5938 -1.4865 -3.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -2.6961 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9043 -2.4000 2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5559 -3.8305 -1.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1273 -3.5440 2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8635 -4.2633 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 15 2 0 0 0 0 4 18 2 0 0 0 0 5 23 2 0 0 0 0 6 18 1 0 0 0 0 6 23 1 0 0 0 0 6 42 1 0 0 0 0 7 14 1 0 0 0 0 7 22 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 10 16 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 15 1 0 0 0 0 13 19 2 0 0 0 0 13 20 1 0 0 0 0 14 21 2 0 0 0 0 16 19 1 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END > DB14034 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QQKNSPHAFATFNQ-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(CCC(=O)C2=CC=C(CC3SC(=O)NC3=O)C=C2)N=C(O1)C1=CC=CC=C1 > InChI=1S/C23H20N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,20H,11-13H2,1H3,(H,25,27,28) > QQKNSPHAFATFNQ-UHFFFAOYSA-N > C23H20N2O4S > 420.48 > 420.114378306 > 4 > 50 > 45.34393945378805 > 1 > 1 > 0 > 1 > 5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 3.48 > 3.8240212823333333 > -4.49 > 1 > 4 > -1 > 15.857570001241601 > 6.613587171773722 > 0.8509380964558696 > 89.27000000000001 > 124.91510000000001 > 7 > 1 > 1.37e-02 g/l > darglitazone > 0 $$$$