90055716 -OEChem-05201910593D 65 67 0 1 0 0 0 0 0999 V2000 4.5381 3.4847 -0.8464 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.2907 0.4654 0.8816 P 0 0 2 0 0 0 0 0 0 0 0 0 1.9491 1.2611 1.1154 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 4.4442 0.8874 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8343 1.1021 1.2393 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.0286 0.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1487 1.8035 0.5594 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8377 -0.2905 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5558 -3.2314 -0.8871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 -3.8550 -0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2658 -2.7456 0.1144 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 0.3015 0.2177 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7897 -1.0926 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1222 -0.3796 -0.5374 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 2.5434 -0.5374 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9175 3.4028 0.0449 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2586 1.5353 0.5952 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1285 2.4309 0.9302 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6182 1.8987 -1.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2066 2.0024 0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2828 0.1508 0.3647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -0.7365 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6141 -1.9161 -0.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0662 -2.1583 -0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -1.5446 -0.5562 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6761 -1.7348 -1.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0693 -2.7539 -0.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4206 1.8296 0.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8320 2.8967 -0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3052 0.7892 0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 -5.0817 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1281 2.9234 -1.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6015 0.8158 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 -5.2349 1.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -6.2378 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0129 1.8830 -0.9752 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 3.8838 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8269 1.9908 1.4173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9568 2.8440 1.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4196 1.2931 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 2.6713 -2.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7354 1.2644 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0763 1.4925 -0.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8488 2.8757 0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6526 4.9349 1.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0495 -0.5697 -0.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7927 -1.2254 0.0594 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -2.7050 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9572 -0.5552 -1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4350 -1.4136 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4617 -1.9512 -2.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1383 -0.8386 -2.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 -2.5701 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9437 -5.0844 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1468 3.7096 -0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 -0.0533 0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4485 3.7543 -1.8805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2910 0.0065 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 -4.4062 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 -6.0998 -1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3141 -6.1724 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6740 -7.1955 -0.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1464 -6.2828 -0.1853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8144 -5.2167 2.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0221 1.9039 -1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 2 8 2 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 3 18 1 0 0 0 0 4 16 1 0 0 0 0 4 45 1 0 0 0 0 5 20 1 0 0 0 0 6 21 2 0 0 0 0 7 28 1 0 0 0 0 9 24 2 0 0 0 0 10 27 1 0 0 0 0 10 31 1 0 0 0 0 11 27 2 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 13 47 1 0 0 0 0 14 25 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 33 2 0 0 0 0 30 56 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 54 1 0 0 0 0 32 36 2 0 0 0 0 32 57 1 0 0 0 0 33 36 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 61 1 0 0 0 0 34 64 1 0 0 0 0 35 60 1 0 0 0 0 35 62 1 0 0 0 0 35 63 1 0 0 0 0 36 65 1 0 0 0 0 M END > DB15206 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SFPFZQKYPOWCSI-KHFYHRBSSA-N/SDF?record_type=3d > CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(Cl)[C@@H]1O)OC1=CC=CC=C1 > InChI=1S/C22H29ClN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16-,18-,20-,22-,36-/m1/s1 > SFPFZQKYPOWCSI-KHFYHRBSSA-N > C22H29ClN3O9P > 545.91 > 545.1329942 > 6 > 65 > 50.7069898817847 > 0 > 3 > 0 > 0 > propan-2-yl (2R)-2-{[(R)-{[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate > 1.73 > 1.7471042273333326 > -3.35 > 1 > 3 > 0 > 10.387850499745111 > 9.7031045552861 > -3.74681349014972 > 152.72999999999996 > 126.3347 > 11 > 0 > 2.44e-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 $$$$