89658382 -OEChem-05201910283D 54 55 0 1 0 0 0 0 0999 V2000 1.4500 -3.6480 -0.1692 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.2147 1.6805 0.8733 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.0639 -0.0809 -1.1026 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7607 -0.5947 -0.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8095 -2.0715 -0.1149 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 -0.5701 1.6128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 3.8359 0.3022 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 -2.4165 1.7779 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 2.0627 -0.3998 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 4.2009 0.2069 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9197 4.5684 0.1074 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3983 -1.1574 -0.2548 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5821 -0.5694 0.5195 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1475 0.8667 0.7120 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4205 1.1698 -0.5846 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7574 -1.5500 0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 -2.3413 -1.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9579 -0.5922 0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9657 1.6022 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5106 3.3952 0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1158 -0.6084 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9328 -2.4756 0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0504 2.3611 -0.5289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9627 -3.0198 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 3.7512 -0.0542 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3088 -1.3625 -0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4993 0.8203 -0.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3787 -2.7431 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7385 -4.5134 -0.6146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -1.0882 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 0.9694 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1007 1.6144 -1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -0.6743 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 -2.2942 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 -2.0562 -1.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -2.7310 -1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1138 0.5897 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -1.1444 -1.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0513 2.0097 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8392 -2.4953 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6999 -0.8660 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8216 1.3844 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6459 1.3525 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3142 0.8319 -1.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1202 -1.4312 -0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0219 -2.3803 0.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1213 -3.0767 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 -1.6711 0.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4537 -4.9215 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7283 -4.7067 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8477 -5.0645 0.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -3.2582 1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8629 4.2487 -0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8127 5.5243 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 13 1 0 0 0 0 4 18 1 0 0 0 0 5 16 1 0 0 0 0 5 22 1 0 0 0 0 6 18 2 0 0 0 0 7 20 2 0 0 0 0 8 22 2 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 20 1 0 0 0 0 10 25 2 0 0 0 0 11 25 1 0 0 0 0 11 53 1 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 21 1 0 0 0 0 19 23 2 0 0 0 0 19 37 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 23 39 1 0 0 0 0 24 28 1 0 0 0 0 24 29 1 0 0 0 0 24 40 1 0 0 0 0 26 41 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 52 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 M END > DB14808 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MJVKYGMNSQJLIN-KYZVSKTDSA-N/SDF?record_type=3d > CC(C)C(=O)OC[C@@]1(CCl)O[C@H]([C@H](F)[C@@H]1OC(=O)C(C)C)N1C=CC(N)=NC1=O > InChI=1S/C18H25ClFN3O6/c1-9(2)15(24)27-8-18(7-19)13(28-16(25)10(3)4)12(20)14(29-18)23-6-5-11(21)22-17(23)26/h5-6,9-10,12-14H,7-8H2,1-4H3,(H2,21,22,26)/t12-,13+,14-,18-/m1/s1 > MJVKYGMNSQJLIN-KYZVSKTDSA-N > C18H25ClFN3O6 > 433.86 > 433.1415914 > 6 > 54 > 41.59331473998887 > 1 > 1 > 0 > 1 > [(2R,3R,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(chloromethyl)-4-fluoro-3-[(2-methylpropanoyl)oxy]oxolan-2-yl]methyl 2-methylpropanoate > 2.11 > 2.0511281186666657 > -3.84 > 0 > 2 > 0 > 19.216999745485555 > 3.817199196543202 > 120.52000000000001 > 98.79140000000001 > 9 > 1 > 6.30e-02 g/l > (2R)-14-fluoro-2-methyl-6,9,10,19-tetraazapentacyclo[14.2.1.0^{2,6}.0^{8,18}.0^{12,17}]nonadeca-1(18),8,12(17),13,15-pentaen-11-one > 0 $$$$