56339 -OEChem-10051719333D 40 42 0 0 0 0 0 0 0999 V2000 4.9765 -0.0028 0.4054 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4037 0.2008 1.7117 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4161 -0.1193 -0.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4379 0.9927 -2.6933 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5392 1.1731 -0.5529 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9242 0.7049 1.8582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7567 -1.2835 0.3515 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5224 0.3245 -1.6312 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2718 0.7149 -0.3796 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0227 0.0517 -0.2862 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2825 0.3256 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4246 -1.4127 -0.0716 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1574 1.0387 0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8143 0.7142 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6226 1.0528 0.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8531 -1.8456 1.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3511 0.9689 -0.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3631 -2.3195 -1.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0026 2.0123 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2182 -3.1777 1.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3842 1.8677 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7284 -3.6515 -0.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0356 2.9112 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -4.0805 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2263 2.8388 0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0961 0.2546 -2.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 1.4635 1.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 1.7890 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9151 -1.1580 2.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4916 0.2206 -1.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0372 -2.0295 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0953 2.1211 1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5525 -3.5115 2.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3112 1.8119 -1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6803 -4.3550 -1.7632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9124 3.6695 2.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 -5.1175 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0303 3.5392 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4983 1.3782 -0.5388 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6961 0.1621 2.6427 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 11 2 0 0 0 0 3 15 1 0 0 0 0 4 14 2 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 25 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END > DB01320 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XWLUWCNOOVRFPX-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C16H15N2O6P/c19-14-16(12-7-3-1-4-8-12,13-9-5-2-6-10-13)17-15(20)18(14)11-24-25(21,22)23/h1-10H,11H2,(H,17,20)(H2,21,22,23) > XWLUWCNOOVRFPX-UHFFFAOYSA-N > C16H15N2O6P > 362.2739 > 362.066772734 > 5 > 40 > -1.8643708912696701 > 33.22749727305599 > 1 > 3 > 0 > 1 > [(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy]phosphonic acid > 1.08 > 1.6680293453333337 > -3.40 > 0 > -2 > 3 > -2 > 6.497641162404473 > 1.4607412065630265 > -9.658399928883057 > 116.17 > 87.05370000000003 > 5 > 1 > 1.45e-01 g/l > biotin > 0 $$$$