6914624 -OEChem-10051720563D 28 29 0 0 0 0 0 0 0999 V2000 -4.1598 -3.0782 -0.0068 I 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 2.5322 0.0105 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1575 1.6604 0.4236 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 -0.0578 0.4979 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3299 -1.6524 0.7631 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1324 -1.0798 -0.1372 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6270 -0.2225 -0.8458 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 0.7836 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -0.5988 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6395 1.2096 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3587 0.2508 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 1.6920 0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5786 -1.0469 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1610 -1.4713 -0.0895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 0.6308 -0.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 1.2356 0.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6271 -0.1308 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0493 0.0055 -0.9639 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7543 -0.6620 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8647 2.7651 0.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2657 -2.5497 -0.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1759 1.9480 0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6648 -0.4531 0.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -1.0593 -1.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2434 1.0819 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3964 -0.4255 -1.9062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 2.6629 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 -0.5068 1.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 28 1 0 0 0 0 5 19 2 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 20 1 0 0 0 0 13 17 2 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 M END > DB07112 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FUMNLXHPILGSLC-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CNC(=O)C1=C(O)C2=CC=CC(I)=C2C=N1 > InChI=1S/C12H9IN2O4/c13-8-3-1-2-6-7(8)4-14-10(11(6)18)12(19)15-5-9(16)17/h1-4,18H,5H2,(H,15,19)(H,16,17) > FUMNLXHPILGSLC-UHFFFAOYSA-N > C12H9IN2O4 > 372.1153 > 371.960700206 > 5 > 28 > -1.2591184658715566 > 29.27733750102253 > 1 > 3 > 0 > 1 > 2-[(4-hydroxy-8-iodoisoquinolin-3-yl)formamido]acetic acid > 2.26 > 1.5459340621532962 > -3.45 > 0 > -1 > 2 > -1 > 7.455852600142186 > 2.8095464336517977 > 1.8476234990049398 > 99.52000000000001 > 75.38239999999999 > 3 > 1 > 1.32e-01 g/l > biotin > 0 $$$$