6914666 -OEChem-01051815233D 28 29 0 0 0 0 0 0 0999 V2000 -1.2764 -3.2655 -0.0879 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 2.5063 -0.0171 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9086 1.7861 0.4014 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7719 0.2908 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2702 -1.3892 0.7883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0443 -1.0755 -0.1125 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 -0.0867 -0.8388 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 0.6660 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 -0.7304 0.0117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.1672 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1936 0.2663 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2823 1.5125 0.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 -1.5400 -0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6625 -1.2535 0.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5733 0.7263 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5722 0.9817 0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7620 -0.3981 0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8906 0.2213 -0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6353 -0.3854 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 2.5942 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8545 -2.3230 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4296 1.6464 0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7669 -0.8080 0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1504 -0.9512 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0219 1.3073 -0.9643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2604 -0.2040 -1.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3288 2.6892 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 -0.1190 1.2436 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 1 0 0 0 0 6 13 2 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 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 20 1 0 0 0 0 14 17 1 0 0 0 0 14 21 1 0 0 0 0 16 17 2 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 > DB08687 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OUQVKRKGTAUJQA-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)CNC(=O)C1=C(O)C2=CC=CC=C2C(Cl)=N1 > InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17) > OUQVKRKGTAUJQA-UHFFFAOYSA-N > C12H9ClN2O4 > 280.664 > 280.025084493 > 5 > 28 > 25.935261549495866 > 1 > 3 > 0 > 1 > 2-[(1-chloro-4-hydroxyisoquinolin-3-yl)formamido]acetic acid > 2.39 > 1.853856671333333 > -3.23 > 0 > 2 > -1 > 7.215945901928906 > 3.1786593130965937 > -0.1298989675951162 > 99.52000000000001 > 67.88600000000001 > 3 > 1 > 1.67e-01 g/l > [(1-chloro-4-hydroxyisoquinolin-3-yl)formamido]acetic acid > 0 $$$$