44603336 -OEChem-05201910333D 59 62 0 1 0 0 0 0 0999 V2000 1.8028 -0.7336 0.4386 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.8395 4.3620 1.1476 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.7105 2.4657 -1.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 1.5482 0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4521 -1.2886 -0.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7671 -0.8540 1.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 0.9278 0.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5306 0.5373 -1.7744 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9806 2.0042 -0.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0964 -1.3861 -0.3629 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7655 0.8176 -1.4377 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1724 0.6269 1.0054 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5937 -1.3292 1.3369 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5209 -1.7612 -0.0141 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0033 3.0634 -0.8213 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1661 2.7444 0.0288 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8655 3.6894 0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 1.0015 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6436 3.5177 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4437 -1.0559 0.0715 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0231 0.9259 0.0122 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 1.8948 -1.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1367 0.2026 -0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3861 -2.2065 -0.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8749 0.2095 -0.6462 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 -0.9653 0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0125 -2.5840 -0.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5405 -0.5224 1.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7463 -3.5409 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1693 -2.9467 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1918 2.1590 -0.3736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2983 -4.8609 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6172 -4.2664 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8834 -5.2236 -0.1005 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 2.8273 0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2307 3.7890 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 3.3542 -0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6248 1.0788 -1.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6389 1.5359 0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2935 3.8870 1.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0539 -1.4484 -1.3795 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4463 -0.8822 1.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2506 2.6251 -2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0735 -3.1279 0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4056 -1.9728 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4277 -2.4014 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9054 -0.8453 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -3.3069 1.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7435 -2.2058 -1.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6983 -2.6062 0.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1323 -1.4925 -0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3453 2.8142 -0.6078 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 1.9551 -1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -5.6064 1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5377 -4.5485 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2325 -6.2511 -0.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5408 3.0210 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9307 2.1759 0.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4800 3.7739 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 17 1 0 0 0 0 3 15 1 0 0 0 0 3 16 1 0 0 0 0 4 16 1 0 0 0 0 4 18 1 0 0 0 0 5 27 1 0 0 0 0 7 25 1 0 0 0 0 7 31 1 0 0 0 0 8 25 2 0 0 0 0 9 15 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 11 22 2 0 0 0 0 11 23 1 0 0 0 0 12 21 1 0 0 0 0 12 28 2 0 0 0 0 13 26 2 0 0 0 0 13 28 1 0 0 0 0 14 26 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 15 17 1 0 0 0 0 15 36 1 0 0 0 0 16 19 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 28 47 1 0 0 0 0 29 32 1 0 0 0 0 29 48 1 0 0 0 0 30 33 2 0 0 0 0 30 49 1 0 0 0 0 31 35 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 32 34 2 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > DB14903 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OCJRRXHWPBXZSU-BJBBEUPESA-N/SDF?record_type=3d > CCOC(=O)[C@H](C)N[P@@](=O)(CO[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)C(F)=C1)OC1=CC=CC=C1 > InChI=1S/C21H24FN6O6P/c1-3-31-21(29)13(2)27-35(30,34-14-7-5-4-6-8-14)12-32-16-9-15(22)20(33-16)28-11-26-17-18(23)24-10-25-19(17)28/h4-11,13,16,20H,3,12H2,1-2H3,(H,27,30)(H2,23,24,25)/t13-,16-,20+,35+/m0/s1 > OCJRRXHWPBXZSU-BJBBEUPESA-N > C21H24FN6O6P > 506.431 > 506.147897678 > 8 > 59 > 47.877840581485586 > 0 > 2 > 0 > 0 > ethyl (2S)-2-{[(R)-({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)(phenoxy)phosphoryl]amino}propanoate > 1.44 > 1.4897075683333345 > -3.04 > 1 > 4 > 0 > 18.514546044975784 > 11.359494527904758 > 3.909520813733849 > 152.70999999999998 > 122.90050000000004 > 11 > 0 > 4.59e-01 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 $$$$