75593290 -OEChem-12152013133D 40 42 0 0 0 0 0 0 0999 V2000 2.6236 1.0024 -0.7774 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2214 2.2518 -0.7150 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9573 -1.7997 0.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3249 1.9741 0.8509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9202 -0.5162 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6642 0.7767 0.2093 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4332 0.3102 -0.5000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1945 0.5501 -0.7779 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4537 2.1810 0.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 1.4278 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5562 2.1916 1.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1877 1.4426 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5378 -1.0734 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.0492 -0.4633 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3713 -1.7792 0.0617 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9468 0.2987 -0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 -1.0213 0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 -1.7429 -0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4620 -3.1708 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2191 1.0387 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -3.1210 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6832 -3.8342 0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5265 1.1077 -0.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4857 0.4563 0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2854 3.0906 -0.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4097 1.8311 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 0.3464 -0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4259 1.6214 2.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 3.1073 1.3276 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4909 2.1217 0.9587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3721 0.5914 1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 -1.2185 -0.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4146 -3.7623 0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -3.6384 -0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -4.9103 0.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9871 -0.2359 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7425 -1.2352 0.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4799 2.1773 -0.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8917 0.9501 -1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5637 -0.9239 1.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 14 2 0 0 0 0 3 17 1 0 0 0 0 3 37 1 0 0 0 0 4 20 2 0 0 0 0 5 24 1 0 0 0 0 5 40 1 0 0 0 0 6 24 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 20 1 0 0 0 0 8 23 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 1 0 0 0 0 19 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END > DB16135 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IKRKQQLJYBAPQT-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2N(OCC2CC2)C1=O > InChI=1S/C16H16N2O6/c19-12(20)7-17-15(22)13-14(21)10-3-1-2-4-11(10)18(16(13)23)24-8-9-5-6-9/h1-4,9,21H,5-8H2,(H,17,22)(H,19,20) > IKRKQQLJYBAPQT-UHFFFAOYSA-N > C16H16N2O6 > 332.312 > 332.100836243 > 6 > 40 > -1.9842151523574971 > 32.685529372653136 > 1 > 3 > 0 > 1 > 2-{[1-(cyclopropylmethoxy)-4-hydroxy-2-oxo-1,2-dihydroquinolin-3-yl]formamido}acetic acid > 0.57 > 0.12130156300000024 > -3.26 > 1 > -2 > 3 > -2 > 5.2056793999118485 > 3.170746852978316 > -2.285291771301743 > 116.17000000000002 > 82.4574 > 6 > 1 > 1.81e-01 g/l > 5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione > 0 $$$$