118596336 -OEChem-05201910333D 66 68 0 1 0 0 0 0 0999 V2000 2.2911 0.5080 1.0231 P 0 0 1 0 0 0 0 0 0 0 0 0 -1.4993 1.0287 3.1745 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6268 1.5872 1.3169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6489 -0.6196 3.1257 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1197 -1.5087 2.3513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8524 0.5569 1.7844 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3596 0.4385 0.0813 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6134 2.0897 0.8666 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3118 -0.2007 1.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8142 0.5697 -4.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3372 -3.6918 -0.7225 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9282 -2.0268 -0.6337 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0605 0.6641 -0.2669 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5882 0.5042 -2.0793 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0243 -0.1065 -0.4957 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3433 -0.6555 1.7271 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8363 -0.6215 1.5198 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7526 0.6998 1.1368 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5202 0.8309 1.8288 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0328 -1.8782 1.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2132 1.3290 1.2512 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4028 0.5295 -0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0383 0.7620 -1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2305 0.7368 -2.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6031 0.5973 -3.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -1.4769 -0.6204 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7252 -1.6222 -1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6533 2.6221 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -2.3927 -0.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5224 3.8788 -0.4377 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8437 1.9080 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 -4.6779 -0.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5819 4.4213 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9033 2.4505 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8963 -5.8761 -1.5664 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7485 -5.0650 0.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7724 3.7072 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5846 -0.8659 0.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5957 1.1374 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1199 -1.8111 1.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7248 -2.7854 1.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8016 -2.0187 0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0555 2.3737 1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2069 1.2924 0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6161 -0.5817 3.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4136 -2.4113 2.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0256 0.8674 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5451 0.4073 -2.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4089 0.8160 -3.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 0.5017 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9374 -1.7429 0.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -1.4221 -2.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3263 -2.6379 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1287 -0.9358 -1.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 4.4391 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9848 0.9321 0.4666 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 -4.2832 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4799 5.3997 -1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8308 1.8953 -0.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6667 -6.6508 -1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6291 -5.5685 -2.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -6.3109 -1.1226 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -5.8316 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8765 -5.4460 1.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1106 -4.1955 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5974 4.1298 -1.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 1 15 1 0 0 0 0 2 19 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 16 1 0 0 0 0 4 45 1 0 0 0 0 5 17 1 0 0 0 0 5 46 1 0 0 0 0 6 21 1 0 0 0 0 7 22 2 0 0 0 0 8 28 1 0 0 0 0 10 25 2 0 0 0 0 11 29 1 0 0 0 0 11 32 1 0 0 0 0 12 29 2 0 0 0 0 13 18 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 22 1 0 0 0 0 14 25 1 0 0 0 0 14 48 1 0 0 0 0 15 26 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 33 1 0 0 0 0 30 55 1 0 0 0 0 31 34 2 0 0 0 0 31 56 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 32 57 1 0 0 0 0 33 37 2 0 0 0 0 33 58 1 0 0 0 0 34 37 1 0 0 0 0 34 59 1 0 0 0 0 35 60 1 0 0 0 0 35 61 1 0 0 0 0 35 62 1 0 0 0 0 36 63 1 0 0 0 0 36 64 1 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 M END > DB14906 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NIJYGVDQZBBONK-SEUXLIJBSA-N/SDF?record_type=3d > CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@@]1(F)O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(O)[C@@H]1O)OC1=CC=CC=C1 > InChI=1S/C22H29FN3O10P/c1-13(2)34-17(28)14(3)25-37(32,36-15-8-6-5-7-9-15)33-12-22(23)18(29)21(4,31)19(35-22)26-11-10-16(27)24-20(26)30/h5-11,13-14,18-19,29,31H,12H2,1-4H3,(H,25,32)(H,24,27,30)/t14-,18-,19+,21+,22+,37-/m0/s1 > NIJYGVDQZBBONK-SEUXLIJBSA-N > C22H29FN3O10P > 545.457 > 545.157459307 > 7 > 66 > 50.102482577391896 > 0 > 4 > 0 > 0 > propan-2-yl (2S)-2-{[(S)-{[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-fluoro-3,4-dihydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate > 1.30 > 0.9631591786666656 > -2.46 > 1 > 3 > 0 > 10.36856337275324 > 9.695874885262189 > -3.881464214288363 > 172.95999999999995 > 123.37010000000001 > 11 > 0 > 1.88e+00 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 $$$$