11602832 -OEChem-10051720593D 40 43 0 0 0 0 0 0 0999 V2000 2.4156 -0.4436 -2.6332 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.4373 2.7611 0.3483 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1578 2.5513 0.0883 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1863 -0.3638 -1.5872 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9526 -2.4351 0.3794 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1230 3.0412 0.2116 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6946 -0.2199 0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0034 -1.4398 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9112 0.9303 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0795 -0.5187 0.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 0.8606 0.2047 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 -0.3390 0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 -1.5239 0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 -1.8891 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2075 0.4322 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 2.3347 0.2876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9867 2.2303 0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5947 -0.4149 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6809 -3.8563 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7542 0.8111 -0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2649 -0.4665 -1.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -0.4358 1.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 -0.5387 -1.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7185 -0.5081 1.2541 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3844 -0.5596 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8933 -2.4950 0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0870 -2.5167 0.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9762 1.3152 1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0255 -0.0558 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0777 4.0540 0.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 -4.4105 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1601 -4.1087 -0.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 -4.0877 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9840 1.2897 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 1.4962 -0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8257 -0.3958 2.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1925 -0.5793 -2.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2844 -0.5240 2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8914 -0.7665 -1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4687 -0.6158 0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 20 1 0 0 0 0 4 39 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 16 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 25 2 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 M END > DB07257 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WHMQZCPGFZBLBG-UHFFFAOYSA-N/SDF?record_type=3d > CN1C=C(CCO)C2=C1C=C(C1=C2C(=O)NC1=O)C1=CC=CC=C1Cl > InChI=1S/C19H15ClN2O3/c1-22-9-10(6-7-23)15-14(22)8-12(11-4-2-3-5-13(11)20)16-17(15)19(25)21-18(16)24/h2-5,8-9,23H,6-7H2,1H3,(H,21,24,25) > WHMQZCPGFZBLBG-UHFFFAOYSA-N > C19H15ClN2O3 > 354.787 > 354.077120063 > 3 > 40 > -0.08022154165144976 > 36.26242056795293 > 1 > 2 > 0 > 1 > 4-(2-chlorophenyl)-8-(2-hydroxyethyl)-6-methyl-1H,2H,3H,6H-pyrrolo[3,4-e]indole-1,3-dione > 3.06 > 2.788442573 > -4.32 > 0 > 0 > 4 > 0 > 15.794409989783436 > 8.059477511948321 > -2.464233747445572 > 71.33000000000001 > 96.8099 > 3 > 1 > 1.68e-02 g/l > tetrahydrofolic acid > 0 $$$$