53373585 -OEChem-05201910313D 72 76 0 1 0 0 0 0 0999 V2000 -2.5700 0.9076 -1.7029 P 0 0 2 0 0 0 0 0 0 0 0 0 1.8396 -2.1794 1.9791 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 1.1873 -1.3684 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 1.6397 -4.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 1.3058 -2.2336 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3608 -0.6548 -1.3218 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4824 -1.5564 -1.9689 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 1.0948 -2.8018 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0901 -3.7010 1.8734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 3.2682 1.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9399 4.4613 1.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4573 -0.8933 -1.0072 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7893 -2.6229 -0.0562 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8274 1.7413 -0.2906 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4998 0.8089 -3.5076 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3010 1.5157 -2.1740 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3166 -0.4059 -3.1327 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 0.1130 -1.9875 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0579 1.0425 -1.4319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6354 -1.6757 -1.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -1.0895 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7258 -1.9980 0.9833 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9169 -2.8607 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 3.1945 -0.3389 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2759 -1.4460 -0.6814 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3220 3.6475 -0.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3355 3.7321 0.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8733 -2.5090 0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6294 -1.1655 -0.8713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -3.2987 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5156 -2.8057 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5970 -1.9421 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -3.0021 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4548 -4.3618 1.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1336 -3.8658 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 3.6907 2.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 -4.6422 1.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9676 3.1016 2.3961 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1757 1.8577 2.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 3.7983 1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4581 1.3102 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3240 3.2510 1.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5322 2.0070 2.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5727 0.5440 -4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 2.6038 -2.2988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 -0.7955 -3.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6514 -1.2105 -2.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1083 0.5301 -2.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 1.5462 -0.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0966 -0.0321 -1.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7129 2.4279 -4.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.4744 0.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6287 -3.1947 -0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5528 1.3875 0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2552 3.5959 -1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7249 3.2758 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3829 4.7415 -0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 3.3023 0.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -0.3598 -1.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7342 -2.2193 -0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6508 -1.7248 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9886 -3.5959 1.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1939 -4.9821 2.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0804 -4.0860 1.3162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 4.7861 2.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9929 3.3602 3.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 -5.4674 2.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3464 1.3035 3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 4.7668 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 0.3411 3.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1601 3.7924 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5302 1.5796 2.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 14 1 0 0 0 0 2 22 1 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 15 1 0 0 0 0 4 51 1 0 0 0 0 5 19 1 0 0 0 0 6 25 1 0 0 0 0 7 20 2 0 0 0 0 9 23 2 0 0 0 0 10 27 1 0 0 0 0 10 36 1 0 0 0 0 11 27 2 0 0 0 0 12 18 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 20 1 0 0 0 0 13 23 1 0 0 0 0 13 53 1 0 0 0 0 14 24 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 44 1 0 0 0 0 16 19 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 55 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 28 30 1 0 0 0 0 28 31 2 0 0 0 0 29 32 1 0 0 0 0 29 59 1 0 0 0 0 30 33 1 0 0 0 0 30 34 2 0 0 0 0 31 35 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 34 37 1 0 0 0 0 34 63 1 0 0 0 0 35 37 2 0 0 0 0 35 64 1 0 0 0 0 36 38 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 37 67 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 68 1 0 0 0 0 40 42 2 0 0 0 0 40 69 1 0 0 0 0 41 43 2 0 0 0 0 41 70 1 0 0 0 0 42 43 1 0 0 0 0 42 71 1 0 0 0 0 43 72 1 0 0 0 0 M END > DB14859 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BIOWRMNRHMERIO-ZVAHOJSLSA-N/SDF?record_type=3d > C[C@H](NP(=O)(OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(F)C(=O)NC1=O)OC1=C2C=CC=CC2=CC=C1)C(=O)OCC1=CC=CC=C1 > InChI=1S/C29H29FN3O9P/c1-18(28(36)39-16-19-8-3-2-4-9-19)32-43(38,42-24-13-7-11-20-10-5-6-12-21(20)24)40-17-25-23(34)14-26(41-25)33-15-22(30)27(35)31-29(33)37/h2-13,15,18,23,25-26,34H,14,16-17H2,1H3,(H,32,38)(H,31,35,37)/t18-,23-,25+,26+,43?/m0/s1 > BIOWRMNRHMERIO-ZVAHOJSLSA-N > C29H29FN3O9P > 613.535 > 613.162544687 > 6 > 72 > 58.72825139778473 > 0 > 3 > 0 > 0 > benzyl (2S)-2-[({[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(naphthalen-1-yloxy)phosphoryl)amino]propanoate > 2.89 > 3.1525835706666667 > -5.74 > 1 > 5 > 0 > 10.241026885721585 > 8.075645221377247 > -3.2403230024238527 > 152.73 > 149.23309999999995 > 12 > 0 > 1.13e-03 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 $$$$