10125830 -OEChem-10051720563D 41 44 0 0 0 0 0 0 0999 V2000 -3.7647 2.0333 -0.2975 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 1.6298 0.7014 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0869 -0.6788 -0.1244 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 1.7531 -0.3183 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7687 -0.5416 -0.9792 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2759 -0.5022 0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 0.6687 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -0.1143 0.0772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4926 -0.5200 0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8272 0.6895 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6244 -1.7032 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7558 1.3592 -0.2016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 -1.7048 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9393 -0.5579 -0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7597 -0.8812 0.2525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 -0.4851 0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6753 0.5643 0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5953 -1.7165 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 0.5277 0.3292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9891 -1.7529 -0.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9973 -0.0522 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7261 -0.6310 -0.0853 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0655 -0.1336 -0.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2353 0.1776 0.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0959 2.5720 -0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3355 1.6212 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -2.6205 0.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1024 2.6968 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2709 -2.6513 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6064 -1.9409 0.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2014 1.4746 0.7234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0645 -2.6032 -0.7639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 -2.6593 -0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3623 -0.8317 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7805 0.0918 2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7494 -0.1006 -1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1513 0.5312 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 -1.5576 -0.4357 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 2.9853 -0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7073 2.1050 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6674 3.3878 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 25 1 0 0 0 0 3 22 1 0 0 0 0 3 38 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 28 1 0 0 0 0 5 16 1 0 0 0 0 5 23 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 7 10 1 0 0 0 0 8 12 1 0 0 0 0 8 15 2 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 13 29 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 24 1 0 0 0 0 21 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END > DB07078 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AYSXURJZVXBSRV-WJDWOHSUSA-N/SDF?record_type=3d > COC1=CC(=CC=C1O)C1=CC2=C(C=C1)\C(=C\C1=CC=CN1)C(=O)N2 > InChI=1S/C20H16N2O3/c1-25-19-10-13(5-7-18(19)23)12-4-6-15-16(11-14-3-2-8-21-14)20(24)22-17(15)9-12/h2-11,21,23H,1H3,(H,22,24)/b16-11- > AYSXURJZVXBSRV-WJDWOHSUSA-N > C20H16N2O3 > 332.3526 > 332.116092388 > 3 > 41 > -0.0015627634849530976 > 36.55257968939918 > 1 > 3 > 0 > 1 > (3Z)-6-(4-hydroxy-3-methoxyphenyl)-3-[(1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one > 3.49 > 3.4511041479999993 > -3.86 > 0 > 0 > 4 > 0 > 11.216487752795482 > 9.823448883017923 > -2.072173116681369 > 74.35 > 97.94790000000002 > 3 > 1 > 4.58e-02 g/l > tetrahydrofolic acid > 0 $$$$