510684 -OEChem-10051721153D 50 52 0 0 0 0 0 0 0999 V2000 3.4289 1.7934 -1.9331 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 1.5489 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 0.8620 2.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3560 0.1208 2.7278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 -0.4779 -0.0663 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4639 -1.7255 -0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0699 0.1086 1.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9372 0.1508 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5355 -2.8854 -0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0996 1.1992 1.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 0.3730 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3987 0.5488 -2.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2613 0.9934 -1.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5302 1.1692 -3.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7008 -3.3096 -1.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6925 2.5050 0.8875 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5236 -3.5188 1.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4453 0.8878 1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7999 1.3915 -2.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 1.2242 -1.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1606 -4.3857 -0.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 3.5167 0.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6621 -4.5950 1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4004 1.8996 1.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1528 0.7843 0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1799 -5.0284 0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0017 3.2141 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 1.0387 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 0.5961 1.8944 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8095 -1.7240 -1.4594 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3787 -1.8702 0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1527 0.5033 1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4203 -0.6515 1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 0.0409 0.3606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4343 0.3934 -2.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 1.4813 -4.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -2.8188 -2.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 2.7539 0.7757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1756 -3.1918 1.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7683 -0.1318 1.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 1.8768 -3.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8161 -4.7232 -1.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3372 4.5403 0.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6473 -5.0957 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4547 1.6640 1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 -0.2972 0.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 1.3209 0.9941 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8506 -5.8663 0.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7454 4.0020 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7583 0.6080 2.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 28 2 0 0 0 0 3 29 1 0 0 0 0 3 50 1 0 0 0 0 4 29 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 11 1 0 0 0 0 8 12 2 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 13 2 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 14 19 2 0 0 0 0 14 36 1 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 22 1 0 0 0 0 16 38 1 0 0 0 0 17 23 2 0 0 0 0 17 39 1 0 0 0 0 18 24 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 21 42 1 0 0 0 0 22 27 2 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 27 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 M END > DB08147 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RMWVENXKUQXLPW-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)CC(=O)C1=CC=CC(=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1 > InChI=1S/C24H21NO4/c26-22(15-23(27)24(28)29)20-12-7-13-21(14-20)25(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-14H,15-17H2,(H,28,29) > RMWVENXKUQXLPW-UHFFFAOYSA-N > C24H21NO4 > 387.4278 > 387.147058165 > 5 > 50 > -1.00178453503648 > 40.804936421826994 > 1 > 1 > 0 > 1 > 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid > 3.85 > 4.920422873237472 > -5.64 > 1 > -1 > 3 > -1 > 9.724352113190813 > 3.1020947360303213 > 1.7501770466882174 > 74.68 > 111.80470000000003 > 9 > 1 > 8.81e-04 g/l > tetrahydrofolic acid > 0 $$$$