447532 -OEChem-10051720023D 24 25 0 0 0 0 0 0 0999 V2000 3.1198 -1.0251 -0.0733 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5146 -0.8442 -0.0521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -0.5038 1.3816 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2953 -2.6297 0.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8208 -0.4071 -1.2481 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2371 -0.7539 -0.0204 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8055 -2.9604 -0.0202 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5313 0.3928 -0.0131 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 1.6546 0.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8603 0.3560 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3934 2.8314 0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 1.5257 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5623 1.6923 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 2.7651 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2923 0.5124 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5874 -0.6738 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 -1.9324 -0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8746 3.8067 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7076 1.5257 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0922 2.6420 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5861 3.6770 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3768 0.5381 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5567 -0.4668 1.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1921 -3.0162 -0.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 1 5 2 0 0 0 0 2 10 1 0 0 0 0 3 23 1 0 0 0 0 4 24 1 0 0 0 0 6 8 1 0 0 0 0 6 16 2 0 0 0 0 7 17 3 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 M END > DB02762 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NQLPTOOPFMPCHQ-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)OC1=CC=CC2=CC=C(N=C12)C#N > InChI=1S/C10H7N2O4P/c11-6-8-5-4-7-2-1-3-9(10(7)12-8)16-17(13,14)15/h1-5H,(H2,13,14,15) > NQLPTOOPFMPCHQ-UHFFFAOYSA-N > C10H7N2O4P > 250.1473 > 250.014343234 > 5 > 24 > -1.801974648516013 > 21.396203120493016 > 1 > 2 > 0 > 1 > [(2-cyanoquinolin-8-yl)oxy]phosphonic acid > 0.65 > 1.415416518 > -2.66 > 0 > -2 > 2 > -2 > 6.693575647203192 > 1.7246330405356465 > -1.6556902977972139 > 103.44000000000001 > 58.182700000000004 > 2 > 1 > 5.52e-01 g/l > biotin > 0 $$$$