101543 -OEChem-12181917133D 34 35 0 1 0 0 0 0 0999 V2000 3.2800 1.4228 0.6168 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.0629 -1.7857 -0.9886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 -0.0858 0.2323 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5999 0.5873 -2.1194 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0178 -4.1060 0.1898 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8769 1.3246 0.8528 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 1.5845 2.1145 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4579 1.3379 -2.1534 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8386 2.4780 -0.3548 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8168 0.8293 1.7737 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5826 -0.0797 -0.5152 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6307 1.0839 -0.1968 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 -0.3778 0.1075 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7822 0.4428 -0.9601 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2370 -1.7984 -0.3741 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4238 -0.4257 -1.2939 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2629 -2.8255 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5437 0.8163 -1.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -0.6261 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -0.3616 1.5427 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8464 0.5648 1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9996 -0.2151 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5002 1.4459 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9586 -2.0866 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6692 -0.3794 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -2.6460 1.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2456 -2.8397 1.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4053 1.0631 -1.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -1.3046 1.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 -4.7475 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3337 1.7253 -0.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -0.8062 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 2.1448 1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7372 2.4622 2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 4 14 1 0 0 0 0 4 28 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 18 2 0 0 0 0 10 21 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 21 1 0 0 0 0 20 32 1 0 0 0 0 M END > DB02714 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FOGRQMPFHUHIGU-XVFCMESISA-N/SDF?record_type=3d > OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=CC(=O)NC1=O > InChI=1S/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 > FOGRQMPFHUHIGU-XVFCMESISA-N > C9H13N2O9P > 324.1813 > 324.035866536 > 9 > 34 > -2.1750262479742863 > 26.55651888785477 > 1 > 5 > 0 > 0 > {[(2R,3S,4R,5R)-4-hydroxy-5-(4-hydroxy-2-oxo-1,2-dihydropyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid > -1.75 > -2.1713073686666666 > -1.40 > 0 > -2 > 2 > -2 > 5.894408376500176 > 0.8749531319874958 > -2.412663113748419 > 169.35 > 63.7602 > 4 > 1 > 1.29e+01 g/l > doravirine > 0 $$$$