11326613 -OEChem-10051721053D 44 48 0 0 0 0 0 0 0999 V2000 2.4726 -4.1483 -0.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5097 -4.1263 -0.8392 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -2.2611 -0.0935 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5187 -2.2313 -0.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0141 -3.1071 -0.4318 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7836 1.3057 2.0152 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7724 1.3270 2.0145 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7044 -1.1497 0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7141 -1.1459 0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5480 -0.0566 0.7724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 -0.0434 0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1087 -2.3765 -0.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1306 -2.3671 -0.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0306 0.9908 -0.0611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0211 1.0063 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8028 1.8317 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7865 1.8536 0.7426 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 0.1643 2.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 0.1793 2.0421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 1.3050 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 1.3201 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4384 2.9759 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4118 3.0035 0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4363 -2.8732 -0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -2.8524 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 2.4463 -1.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4907 2.4671 -1.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2788 3.2676 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 3.2945 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 -4.0478 -0.8025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 -0.3856 2.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9043 -0.3720 2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2589 1.7051 2.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 1.7302 2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2974 0.6734 -2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 0.6837 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 3.6158 0.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0021 3.6483 0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4054 2.6929 -2.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3793 2.7132 -2.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 4.1491 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7216 4.1803 -1.5266 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3938 -4.4629 -0.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4335 -4.4327 -0.9619 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 43 1 0 0 0 0 2 25 1 0 0 0 0 2 44 1 0 0 0 0 3 24 2 0 0 0 0 4 25 2 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 16 1 0 0 0 0 6 18 1 0 0 0 0 6 33 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 10 18 2 0 0 0 0 11 15 1 0 0 0 0 11 19 2 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 17 1 0 0 0 0 15 21 2 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 26 1 0 0 0 0 20 35 1 0 0 0 0 21 27 1 0 0 0 0 21 36 1 0 0 0 0 22 28 1 0 0 0 0 22 37 1 0 0 0 0 23 29 1 0 0 0 0 23 38 1 0 0 0 0 26 28 2 0 0 0 0 26 39 1 0 0 0 0 27 29 2 0 0 0 0 27 40 1 0 0 0 0 28 41 1 0 0 0 0 29 42 1 0 0 0 0 M END > DB07588 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FZDVNXHYGMEEDT-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(C2=CNC3=CC=CC=C23)C(=C(N1)C(O)=O)C1=CNC2=C1C=CC=C2 > InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29) > FZDVNXHYGMEEDT-UHFFFAOYSA-N > C22H15N3O4 > 385.3722 > 385.106255983 > 4 > 44 > -1.9990410063636952 > 38.57711863839544 > 1 > 5 > 0 > 1 > 3,4-bis(1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid > 3.90 > 3.7002727019999995 > -5.19 > 0 > -2 > 5 > -2 > 3.901886470672916 > 3.209221833021614 > 121.97 > 107.5296 > 2 > 1 > 2.52e-03 g/l > biotin > 0 $$$$