87517 -OEChem-10051721173D 38 40 0 0 0 0 0 0 0999 V2000 -7.3858 0.7812 0.1461 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -3.1054 -0.2639 P 0 0 0 0 0 0 0 0 0 0 0 0 0.2527 -1.5152 -0.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8127 2.2731 -0.9061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0486 -3.4038 1.2454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9367 -3.7451 -0.2868 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4533 -3.5969 -1.3571 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4983 0.3189 0.1969 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 1.4401 0.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5389 0.0721 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 0.8058 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1979 -0.5395 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 1.7903 -0.0697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5373 -0.9054 -0.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1786 2.4175 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8919 -0.2783 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5506 1.2078 -0.3268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5180 2.0511 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8739 0.7060 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 0.4298 0.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4966 1.5360 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6722 -0.5706 0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8871 1.6452 -0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0628 -0.4613 0.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6703 0.6466 0.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5446 2.8427 -0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 -1.9457 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9238 3.4751 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -1.3233 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2829 2.8169 0.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9168 0.4216 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -0.5141 0.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9617 2.3488 -0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2087 -1.4379 1.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3482 2.5137 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6604 -1.2473 1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 -4.3088 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0332 -4.7162 -0.3861 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 2 0 0 0 0 3 12 1 0 0 0 0 4 17 2 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 2 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 1 0 0 0 0 16 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 33 1 0 0 0 0 22 24 2 0 0 0 0 22 34 1 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 M END > DB08240 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RQAQWBFHPMSXKR-UHFFFAOYSA-N/SDF?record_type=3d > OP(O)(=O)OC1=C(C=C2C=CC=CC2=C1)C(=O)NC1=CC=C(Cl)C=C1 > InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23) > RQAQWBFHPMSXKR-UHFFFAOYSA-N > C17H13ClNO5P > 377.716 > 377.02198675 > 4 > 38 > -1.7947753127534707 > 35.53873305138359 > 1 > 3 > 0 > 1 > ({3-[(4-chlorophenyl)carbamoyl]naphthalen-2-yl}oxy)phosphonic acid > 2.63 > 3.701221587333333 > -5.27 > 0 > -2 > 3 > -2 > 6.713000519937001 > 1.7435991807188695 > -4.380766899993109 > 95.86000000000001 > 95.7003 > 4 > 1 > 2.04e-03 g/l > biotin > 0 $$$$