5282430 -OEChem-10061700143D 38 41 0 0 0 0 0 0 0999 V2000 6.9639 -0.3605 -0.0304 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.9640 0.3605 -0.0303 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5208 -2.1539 -0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 2.1539 -0.0349 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3712 -0.4959 1.5469 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3712 0.4958 1.5468 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9915 -1.7021 -0.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7615 0.7065 -0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9915 1.7021 -0.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7615 -0.7065 -0.6136 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 1.3358 -0.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3191 -1.3359 -0.0313 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 0.1367 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 -0.1367 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -0.2469 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9837 0.2470 -0.0308 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 1.1239 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6918 -1.1239 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6904 -0.9539 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6904 0.9538 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 -0.7461 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2688 0.7462 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7150 2.0486 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -2.0485 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3048 0.1886 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3048 -0.1886 -0.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0313 1.5711 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0314 -1.5711 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 2.2322 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8621 -2.2322 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4499 -1.8143 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4499 1.8144 -0.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5153 3.1146 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5154 -3.1145 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8403 2.2975 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8403 -2.2975 -0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 -1.1497 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8452 1.1497 2.0648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 8 2 0 0 0 0 1 25 1 0 0 0 0 2 6 1 0 0 0 0 2 9 2 0 0 0 0 2 10 2 0 0 0 0 2 26 1 0 0 0 0 3 19 2 0 0 0 0 4 20 2 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 30 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 21 25 2 0 0 0 0 21 31 1 0 0 0 0 22 26 2 0 0 0 0 22 32 1 0 0 0 0 23 27 2 0 0 0 0 23 33 1 0 0 0 0 24 28 2 0 0 0 0 24 34 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 35 1 0 0 0 0 28 36 1 0 0 0 0 M END > DB11577 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/CFZXDJWFRVEWSR-BUHFOSPRSA-N/SDF?record_type=3d > OS(=O)(=O)C1=CC2=C(N\C(C2=O)=C2\NC3=C(C=C(C=C3)S(O)(=O)=O)C2=O)C=C1 > InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,17-18H,(H,21,22,23)(H,24,25,26)/b14-13+ > CFZXDJWFRVEWSR-BUHFOSPRSA-N > C16H10N2O8S2 > 422.389 > 421.987856686 > 10 > 38 > -2.06443264161116 > 39.646678775401455 > 1 > 4 > 0 > 1 > (E)-3,3'-dioxo-1H,1'H,3H,3'H-[2,2'-biindolylidene]-5,5'-disulfonic acid > -0.94 > 1.0141740006666669 > -3.63 > 0 > -2 > 4 > -2 > -2.149454650243993 > -2.8254973063917346 > -7.6613883937141205 > 166.93999999999997 > 101.28599999999996 > 2 > 1 > 9.96e-02 g/l > biotin > 0 $$$$