5289205 -OEChem-11231911263D 34 36 0 1 0 0 0 0 0999 V2000 2.0096 -0.5491 -0.9601 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 2.3027 1.0571 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 2.1486 -0.5686 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -2.5761 -0.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4491 -1.5464 -0.3735 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1974 -0.2964 -0.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5876 -1.8405 0.5818 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8596 1.4972 -0.4995 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1687 0.8918 -0.0603 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 0.3810 -0.4213 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7185 1.0248 0.7808 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1680 1.0669 0.3433 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3140 -0.2476 -0.4150 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4590 0.2410 -0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7403 -1.4044 0.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3372 -0.7324 0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2939 -1.5651 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7980 -0.5065 0.3535 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2300 1.7105 -0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 1.1154 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6116 0.3965 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8692 1.1992 1.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9979 -0.1634 -1.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0150 -1.5999 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7173 -1.2128 0.9313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5220 -2.2520 0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9485 -2.7291 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 2.1883 1.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2843 2.1172 -0.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0978 -0.6096 1.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2513 2.2505 -0.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4955 2.7354 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -2.7336 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2744 -2.3858 0.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 3 12 1 0 0 0 0 3 29 1 0 0 0 0 4 15 1 0 0 0 0 4 33 1 0 0 0 0 5 18 1 0 0 0 0 5 34 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 27 1 0 0 0 0 8 14 1 0 0 0 0 8 19 1 0 0 0 0 8 31 1 0 0 0 0 9 18 1 0 0 0 0 9 19 2 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 17 26 1 0 0 0 0 18 30 1 0 0 0 0 19 32 1 0 0 0 0 M CHG 1 6 1 M END > DB03015 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WGRXVKRHIMUTPD-YOHZANMFSA-O/SDF?record_type=3d > [H]N1C=[N+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C2=C1[C@H](O)N=CN2[H] > InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,9-10,15-18H,1H2,(H,11,12)/p+1/t4-,6-,7-,9+,10-/m1/s1 > WGRXVKRHIMUTPD-YOHZANMFSA-O > C10H15N4O5 > 271.2499 > 271.10424461 > 7 > 34 > 25.684941313552343 > 1 > 6 > 1 > 0 > (6S)-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-hydroxy-6,7-dihydro-3H-9lambda5-purin-9-ylium > -2.05 > -6.6555350038050785 > -1.76 > 0 > 3 > 1 > 11.541026916983826 > 7.029743399948713 > -2.984165232353509 > 134.20999999999998 > 61.697199999999995 > 2 > 0 > 5.27e+00 g/l > N-(3-{[4-(benzyloxy)-3,5-dimethoxyphenyl]formamido}-2-hydroxy-4-phenylbutyl)-3-(1,3-dioxoisoindol-2-yl)-N-{2-[(5S)-hexahydro-2H-1,3-benzodioxol-5-yl]ethyl}propanamide > 0 $$$$