446665 -OEChem-10051720303D 50 51 0 0 0 0 0 0 0999 V2000 -7.9424 1.1075 -0.0186 P 0 0 0 0 0 0 0 0 0 0 0 0 7.9420 -1.1083 0.0026 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.9440 -1.0834 -1.0220 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8871 -1.0112 1.1527 F 0 0 0 0 0 0 0 0 0 0 0 0 7.9368 1.0541 -1.0609 F 0 0 0 0 0 0 0 0 0 0 0 0 7.8953 1.0420 1.1153 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.4528 1.7645 1.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5308 0.9062 0.2095 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4623 -1.7263 1.4178 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.9013 0.2138 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5790 1.8914 -1.2450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5698 -1.9257 -1.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 0.1000 -0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7598 -0.1019 -0.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5379 -1.2217 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5374 1.2196 -0.1115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0352 -1.0436 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0348 1.0420 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -0.9605 1.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7051 0.9927 1.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7582 -0.9614 -1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7494 0.9267 -1.2713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8043 -0.7133 -0.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8044 0.7130 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0813 -0.7954 1.1848 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0898 0.8281 1.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1428 -0.7962 -1.2305 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 0.7622 -1.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2846 -0.5357 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2848 0.5359 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 0.6664 -1.0356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0642 0.7164 0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0231 -0.6658 0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0655 -0.7206 -0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2667 -1.8217 -0.9924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2277 -1.8183 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 1.7934 -1.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2302 1.8417 0.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1438 -1.0204 2.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1588 1.0787 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2535 -1.0220 -2.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2379 0.9608 -2.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5837 -0.7289 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 0.7880 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6941 -0.7300 -2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6788 0.6700 -2.1773 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6653 2.7046 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1173 1.6918 0.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -2.6611 1.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1182 -1.6877 0.2033 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 11 2 0 0 0 0 1 29 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 12 2 0 0 0 0 2 30 1 0 0 0 0 3 29 1 0 0 0 0 4 29 1 0 0 0 0 5 30 1 0 0 0 0 6 30 1 0 0 0 0 7 47 1 0 0 0 0 8 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 25 1 0 0 0 0 19 39 1 0 0 0 0 20 26 1 0 0 0 0 20 40 1 0 0 0 0 21 27 2 0 0 0 0 21 41 1 0 0 0 0 22 28 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 27 1 0 0 0 0 23 29 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 24 30 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > DB04204 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SRHSAABKYJDBDV-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)C(F)(F)C1=CC=C(CCCCC2=CC=C(C=C2)C(F)(F)P(O)(O)=O)C=C1 > InChI=1S/C18H20F4O6P2/c19-17(20,29(23,24)25)15-9-5-13(6-10-15)3-1-2-4-14-7-11-16(12-8-14)18(21,22)30(26,27)28/h5-12H,1-4H2,(H2,23,24,25)(H2,26,27,28) > SRHSAABKYJDBDV-UHFFFAOYSA-N > C18H20F4O6P2 > 470.2889 > 470.067124216 > 6 > 50 > -3.342774843691547 > 40.057234931795904 > 1 > 4 > 0 > 1 > {[4-(4-{4-[difluoro(phosphono)methyl]phenyl}butyl)phenyl]difluoromethyl}phosphonic acid > 2.73 > 3.970145901333333 > -3.79 > 0 > -3 > 2 > -4 > 0.7921304132912755 > 0.19007062041611184 > 115.06 > 103.04200000000002 > 9 > 1 > 7.69e-02 g/l > biotin > 0 $$$$