124081896 -OEChem-02281810543D 63 68 0 1 0 0 0 0 0999 V2000 3.6675 2.9480 -0.5591 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4788 0.2605 -0.4107 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8336 -1.4341 1.6714 F 0 0 0 0 0 0 0 0 0 0 0 0 1.1895 -3.9235 -1.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1341 -2.1609 0.8405 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7206 -0.3837 -0.2335 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7552 1.9340 -1.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1741 -0.4345 1.6172 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3455 -0.8133 1.6221 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4562 0.4768 -0.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0979 -0.3364 -0.8707 N 0 0 2 0 0 0 0 0 0 0 0 0 0.0285 -2.3288 0.0375 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1911 0.1452 -1.1617 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -1.7955 -0.7913 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5847 0.2903 0.3635 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0414 -2.5062 -2.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -3.7629 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3350 -0.4104 -0.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2042 -1.6981 0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0111 -0.1159 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 1.7694 0.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -4.4597 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1209 0.3062 -0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2948 1.2628 -1.9691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 2.8860 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5594 0.1366 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2292 -0.9930 1.7763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9722 1.2822 -1.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1015 2.0138 0.9353 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4403 1.9028 -2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 1.3751 -1.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4080 -0.1470 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 4.1813 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5097 -1.4363 2.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 3.2974 1.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6007 -1.0141 1.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1511 4.3865 0.7261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9808 0.1475 1.0568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3373 -0.1882 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6515 -0.6600 1.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0393 -2.1510 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 -0.1478 1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.3244 -2.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -2.1845 -2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -4.1340 0.8897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 -3.9341 0.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3539 -5.5292 -0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8045 -4.3496 -1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6354 1.6014 -2.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3932 -1.3489 2.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8880 1.3195 -1.7838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1858 0.9793 -1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7166 1.2012 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4958 2.7759 -2.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0174 5.0672 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6513 -2.1125 2.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6252 3.4391 1.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2377 5.3943 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 1.2370 1.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 -0.0697 1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3604 -1.2056 1.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6792 -1.0824 0.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9361 0.3965 1.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 28 1 0 0 0 0 2 32 1 0 0 0 0 3 36 1 0 0 0 0 4 16 1 0 0 0 0 4 22 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 7 31 2 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 39 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 18 1 0 0 0 0 13 24 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 22 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 26 2 0 0 0 0 20 23 2 0 0 0 0 20 27 1 0 0 0 0 21 25 1 0 0 0 0 21 29 2 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 23 28 1 0 0 0 0 23 32 1 0 0 0 0 24 30 2 0 0 0 0 24 49 1 0 0 0 0 25 33 2 0 0 0 0 26 31 1 0 0 0 0 27 34 2 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 35 1 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 32 36 2 0 0 0 0 33 37 1 0 0 0 0 33 55 1 0 0 0 0 34 36 1 0 0 0 0 34 56 1 0 0 0 0 35 37 2 0 0 0 0 35 57 1 0 0 0 0 37 58 1 0 0 0 0 38 59 1 0 0 0 0 38 60 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 40 63 1 0 0 0 0 M END > DB13997 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RZVPBGBYGMDSBG-GGAORHGYSA-N/SDF?record_type=3d > [H][C@@]12COCCN1C(=O)C1=C(OCOC(=O)OC)C(=O)C=CN1N2[C@H]1C2=CC=C(F)C(F)=C2CSC2=CC=CC=C12 > InChI=1S/C27H23F2N3O7S/c1-36-27(35)39-14-38-25-19(33)8-9-31-24(25)26(34)30-10-11-37-12-21(30)32(31)23-15-6-7-18(28)22(29)17(15)13-40-20-5-3-2-4-16(20)23/h2-9,21,23H,10-14H2,1H3/t21-,23+/m1/s1 > RZVPBGBYGMDSBG-GGAORHGYSA-N > C27H23F2N3O7S > 571.55 > 571.122477593 > 8 > 63 > 53.87188121002879 > 1 > 0 > 0 > 0 > {[(3R)-2-[(2S)-12,13-difluoro-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-dien-11-yl]oxy}methyl methyl carbonate > 2.12 > 3.384470939666666 > -4.14 > 1 > 6 > 0 > -0.5962973892916487 > 97.85000000000002 > 140.76019999999994 > 6 > 0 > 4.12e-02 g/l > {[(3R)-2-[(2S)-12,13-difluoro-9-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl]-9,12-dioxo-5-oxa-1,2,8-triazatricyclo[8.4.0.0^{3,8}]tetradeca-10,13-dien-11-yl]oxy}methyl methyl carbonate > 0 $$$$