444763 -OEChem-10051720263D 26 27 0 0 0 0 0 0 0999 V2000 -0.6427 3.5352 -0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 2.7529 0.5471 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0531 -2.2282 -0.0479 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5705 -1.7333 -0.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1664 0.5153 -0.0153 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 -2.1698 -0.0060 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4815 0.0627 -0.0042 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9849 -1.1348 0.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 0.0539 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0827 0.0678 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5858 -1.1597 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6221 1.2696 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0216 1.2791 0.0445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 -0.3042 0.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 -1.6779 0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 2.5514 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3290 -1.0396 -0.0293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7922 -0.6405 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1089 -2.1268 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 2.2041 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6502 -3.1508 -0.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9403 0.3696 0.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0182 -2.3479 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 0.9730 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1688 4.3941 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -1.5087 -0.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 25 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 18 2 0 0 0 0 6 8 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 17 18 1 0 0 0 0 M END > DB04001 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AHWMERGBWWROMM-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)NC1=CC2=C(C=CN2)C=C1C(O)=O > InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18) > AHWMERGBWWROMM-UHFFFAOYSA-N > C11H8N2O5 > 248.1916 > 248.043321376 > 5 > 26 > -1.9992901922072575 > 22.790984459928637 > 1 > 4 > 0 > 1 > 6-(carboxyformamido)-1H-indole-5-carboxylic acid > 0.67 > 1.5768952293333331 > -3.19 > 0 > -2 > 2 > -2 > 3.8523489245724805 > 2.410807312905051 > -6.8875013708839985 > 119.49 > 61.05860000000001 > 3 > 1 > 1.60e-01 g/l > tetrahydrofolic acid > 0 $$$$