44242317 -OEChem-10051722353D 71 76 0 1 0 0 0 0 0999 V2000 3.0848 3.0626 0.8757 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9038 -2.1783 -1.1772 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.5034 0.7814 -3.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9464 0.3296 -1.8113 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8099 1.6432 1.8774 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 0.5301 1.3795 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0257 -1.7531 1.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7758 0.1663 1.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0482 -1.2997 1.0331 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5711 1.9495 1.1771 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 -1.3843 -0.3532 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9772 1.0257 -0.6448 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.8221 -0.2711 0.8507 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7395 -2.5232 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 -3.9316 -0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4872 -3.2587 -0.7787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7224 1.1953 -1.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 0.0723 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 2.4457 -1.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -0.2636 -0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 -0.2099 -0.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6259 2.1529 -1.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 0.9525 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5335 -1.4171 0.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2101 1.5083 -1.5464 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0792 -0.1641 -0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9274 0.7991 0.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1224 -0.4663 0.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8298 1.9898 0.5734 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3289 0.7379 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1443 1.9173 1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5134 -0.6660 1.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1451 0.1817 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6164 -1.0932 -0.8439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8909 1.3067 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5795 -0.1179 0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3122 -1.5463 1.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7482 -1.2518 1.6778 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8336 -1.2430 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1081 1.1570 -0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6869 0.7358 1.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7409 -1.6015 0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9211 -2.3755 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1910 -4.1074 0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0669 -4.7121 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8349 -3.5888 -1.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 -3.0180 0.1452 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -0.8613 -0.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5487 0.3441 0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 2.8491 -0.4485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 3.2256 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4531 -0.9441 -0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4542 -0.6574 -1.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 1.9093 -2.5499 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1637 3.0702 -1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0721 -2.3113 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5144 2.2737 -2.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3790 1.8808 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6644 -0.9303 -1.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5401 2.7373 1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0471 -0.0089 -3.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5723 2.3143 -1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7307 -1.8407 2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2463 -2.3245 0.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0284 -1.7492 2.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1547 -2.2535 0.0507 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 2.0695 0.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0653 0.4374 1.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6945 -2.6674 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5578 -1.0143 -0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6627 -1.5346 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 2 34 1 0 0 0 0 3 17 1 0 0 0 0 3 61 1 0 0 0 0 4 25 1 0 0 0 0 4 33 1 0 0 0 0 5 30 2 0 0 0 0 6 32 1 0 0 0 0 6 68 1 0 0 0 0 7 32 2 0 0 0 0 8 38 1 0 0 0 0 8 41 1 0 0 0 0 9 42 1 0 0 0 0 9 71 1 0 0 0 0 10 41 2 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 11 24 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 22 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 26 1 0 0 0 0 23 29 2 0 0 0 0 24 28 2 0 0 0 0 24 56 1 0 0 0 0 25 57 1 0 0 0 0 25 58 1 0 0 0 0 26 59 1 0 0 0 0 27 30 1 0 0 0 0 27 31 2 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 31 1 0 0 0 0 31 60 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 39 1 0 0 0 0 35 40 2 0 0 0 0 35 62 1 0 0 0 0 36 39 2 0 0 0 0 36 40 1 0 0 0 0 37 38 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 38 42 1 0 0 0 0 38 65 1 0 0 0 0 39 66 1 0 0 0 0 40 67 1 0 0 0 0 42 69 1 0 0 0 0 42 70 1 0 0 0 0 M END > DB11847 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/XWFCFMXQTBGXQW-GOSISDBHSA-N/SDF?record_type=3d > OC[C@H]1CN(C(=O)O1)C1=CC(F)=C(OCC2(O)CCN(CC2)C2=C(F)C=C3C(=O)C(=CN(C4CC4)C3=C2)C(O)=O)C=C1 > InChI=1S/C29H29F2N3O8/c30-21-10-19-23(33(16-1-2-16)13-20(26(19)36)27(37)38)11-24(21)32-7-5-29(40,6-8-32)15-41-25-4-3-17(9-22(25)31)34-12-18(14-35)42-28(34)39/h3-4,9-11,13,16,18,35,40H,1-2,5-8,12,14-15H2,(H,37,38)/t18-/m1/s1 > XWFCFMXQTBGXQW-GOSISDBHSA-N > C29H29F2N3O8 > 585.561 > 585.192271232 > 10 > 71 > 58.165492292452974 > 1 > 3 > 0 > 0 > 1-cyclopropyl-6-fluoro-7-[4-({2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy}methyl)-4-hydroxypiperidin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid > 1.43 > 2.0372033066666644 > -3.35 > 1 > 6 > -1 > 13.835146191081115 > 6.060519595431377 > 0.30881267921261546 > 140.08 > 145.1625 > 8 > 0 > 2.64e-01 g/l > 1-cyclopropyl-6-fluoro-7-(4-{2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxymethyl}-4-hydroxypiperidin-1-yl)-4-oxoquinoline-3-carboxylic acid > 0 $$$$