5288792 -OEChem-10051720023D 49 51 0 0 0 0 0 0 0999 V2000 -0.8882 0.5923 0.9531 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.8795 1.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6697 0.6914 -2.6241 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3694 0.5528 1.3029 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6777 -3.3540 0.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6579 0.7029 0.2261 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9693 0.4082 -0.3137 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 -1.3008 0.0244 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4241 0.0256 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7246 2.0295 0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8769 0.0753 -0.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8963 2.6439 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 2.5748 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9799 -1.3308 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2576 0.6367 0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 -0.0517 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3730 -1.2579 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 1.2153 0.8078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7604 1.1201 -1.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -1.9362 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 -1.9926 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 3.0797 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9917 0.2196 -1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4139 -1.3759 0.3124 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0946 -0.9464 -0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3629 -0.0155 0.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6707 -2.1246 0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 -1.7613 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7213 2.1939 1.2362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0529 2.1712 1.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7507 0.5639 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9614 -0.9700 0.0736 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8222 3.1844 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0655 3.1196 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 2.9229 -1.3721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3691 3.1616 -1.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2227 1.6359 1.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2441 -1.7874 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1358 -2.9350 -0.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 -2.9868 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5634 2.9377 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3154 3.0725 -1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4937 4.0767 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0833 1.2676 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1368 -0.1994 -2.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8905 -0.2968 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1037 -1.3279 -0.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1895 -2.8360 -0.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6468 -0.2929 -0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 26 1 0 0 0 0 2 18 2 0 0 0 0 3 19 2 0 0 0 0 4 26 2 0 0 0 0 5 27 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 25 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 49 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 22 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 23 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 19 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 17 20 2 0 0 0 0 17 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 25 28 2 0 0 0 0 25 47 1 0 0 0 0 28 48 1 0 0 0 0 M END > DB02799 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OJBZDUMTXGGVSP-KTKRTIGZSA-N/SDF?record_type=3d > CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)N\C=C/N1C(=O)CCC1=O)C(=O)O2 > InChI=1S/C20H21N3O5/c1-3-22(4-2)14-6-5-13-11-15(20(27)28-16(13)12-14)19(26)21-9-10-23-17(24)7-8-18(23)25/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,26)/b10-9- > OJBZDUMTXGGVSP-KTKRTIGZSA-N > C20H21N3O5 > 383.3978 > 383.148120797 > 5 > 49 > 0.0014269788551973485 > 40.141317722749264 > 1 > 1 > 0 > 1 > 7-(diethylamino)-N-[(1Z)-2-(2,5-dioxopyrrolidin-1-yl)ethenyl]-2-oxo-2H-chromene-3-carboxamide > 1.99 > 0.7417403116666668 > -3.59 > 1 > 0 > 3 > 0 > 19.26070611179885 > 13.66433894991366 > 4.155103720475823 > 96.02 > 102.85430000000002 > 6 > 1 > 9.84e-02 g/l > tetrahydrofolic acid > 0 $$$$