440190 -OEChem-11261922243D 42 44 0 1 0 0 0 0 0999 V2000 4.8283 1.4215 0.1631 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3012 -0.9033 1.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5369 -2.8358 -1.3504 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -3.8302 0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 0.2572 0.6765 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3400 2.7420 -0.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9951 2.1522 -1.0147 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9618 0.5949 -0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 2.3292 1.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7735 -0.0906 0.1820 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3756 1.9647 -0.2013 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 -1.0812 0.3845 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 0.5329 0.0947 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2421 -1.7393 0.5265 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -1.2655 0.4001 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4639 -1.9476 -0.8977 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7472 -2.6475 -0.5010 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3882 -1.6351 0.4415 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2910 -0.6426 -0.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1466 -0.0595 0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3199 1.1515 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5286 1.2350 -0.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 3.3847 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9106 1.6110 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3714 -0.6986 0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4653 -1.9492 1.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6633 -1.2101 -1.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3668 -2.9371 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9396 -2.1160 1.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -0.0683 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 -1.1713 -0.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7155 1.4456 -0.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3389 -2.3134 -1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2789 -4.2271 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 -2.0525 0.5626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2408 3.6896 -0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7852 3.6046 -1.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7702 3.9376 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9100 -2.6815 0.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2458 -1.5948 0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3754 2.9498 -1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 1.0740 -0.9797 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 16 1 0 0 0 0 3 33 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 19 1 0 0 0 0 6 24 2 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 10 15 1 0 0 0 0 10 20 1 0 0 0 0 10 21 2 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 20 1 0 0 0 0 12 25 1 0 0 0 0 12 35 1 0 0 0 0 13 24 1 0 0 0 0 13 25 2 0 0 0 0 14 25 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 21 32 1 0 0 0 0 22 24 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 10 1 M END > DB03593 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/AOKQNZVJJXPUQA-KQYNXXCUSA-O/SDF?record_type=3d > C[N+]1=CN([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)C2=C1C(=O)NC(N)=N2 > InChI=1S/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1/t4-,6-,7-,10-/m1/s1 > AOKQNZVJJXPUQA-KQYNXXCUSA-O > C11H17N5O8P > 378.2551 > 378.081474057 > 9 > 42 > 33.2759575795769 > 1 > 6 > 1 > 0 > 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-7-methyl-6-oxo-6,9-dihydro-1H-purin-7-ium > -2.43 > -7.1106920452678075 > -2.36 > 0 > 3 > -1 > 6.2491807475846715 > 1.2757936505013399 > 0.27002181625996907 > 192.74 > 80.6867 > 4 > 0 > 1.80e+00 g/l > {4-[(2S)-2-{[(3S)-1-{[1,1'-biphenyl]-4-ylmethyl}-2-oxoazepan-3-yl]carbamoyl}-2-acetamidoethyl]phenyl}difluoromethylphosphonic acid > 0 $$$$