444766 -OEChem-10051720203D 28 29 0 0 0 0 0 0 0999 V2000 0.1669 -1.6673 0.0156 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7671 2.6944 -0.0271 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4584 3.1039 -0.0281 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 -2.0065 0.0209 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0169 -1.1646 0.0150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3034 1.0055 -0.0071 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2090 -1.5493 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6995 0.1842 -0.0016 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 0.1684 -0.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3355 0.7727 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8013 -1.2021 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4047 -0.2680 0.3594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9310 -2.1830 0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7147 0.8474 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3478 -0.0318 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 2.2778 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6998 -0.7907 0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0935 -0.1912 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5378 1.1523 -1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.6138 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3943 0.1299 0.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3956 -0.4391 1.4437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0197 -2.6010 1.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7390 -3.0126 -0.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9748 -2.1827 -0.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 1.1571 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8349 3.6731 -0.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9311 -0.8089 0.0127 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 17 2 0 0 0 0 5 18 1 0 0 0 0 5 28 1 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 25 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 M END > DB03670 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZIBMATWHOAGNTR-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C(=O)NC1=C(C(O)=O)C2=C(CNCC2)S1 > InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17) > ZIBMATWHOAGNTR-UHFFFAOYSA-N > C10H10N2O5S > 270.262 > 270.03104213 > 6 > 28 > -1.028011908773836 > 24.973665589059067 > 1 > 4 > 0 > 0 > 2-(carboxyformamido)-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxylic acid > -1.37 > -1.4681806234878523 > -3.33 > 0 > -1 > 2 > -1 > 3.228285650658637 > 1.6726699949768489 > 8.538119868983836 > 115.72999999999999 > 62.5795 > 3 > 1 > 1.28e-01 g/l > tetrahydrofolic acid > 0 $$$$