24405 -OEChem-10051722373D 45 47 0 1 0 0 0 0 0999 V2000 3.3255 0.7089 0.9835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -2.0854 -0.2833 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4559 -0.1442 -1.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0783 2.8856 1.3906 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -0.1575 0.2097 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5193 1.0223 -0.4506 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1647 -2.2415 0.8177 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 -0.1599 -0.3973 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2457 -2.1209 0.4550 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 -1.0014 -0.6966 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6523 -0.4769 0.5093 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2635 0.1999 -1.1087 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5331 0.8782 0.2232 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8570 2.3559 0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1739 -0.9793 0.3632 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7864 1.0334 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9152 -0.2296 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1613 -0.8456 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0944 -2.7306 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6276 -0.7450 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 0.2533 -0.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3090 1.1683 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 2.1454 -0.7499 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1419 1.2667 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 -1.3702 -1.5147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6401 -1.1922 1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 0.8477 -1.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3397 0.3758 0.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0287 2.9125 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7583 2.5186 -0.5022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6778 -2.8058 0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 0.6786 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 1.8702 -0.5015 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 2.7332 1.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1995 -3.7504 1.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1985 0.7938 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6664 -1.6313 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8834 -1.0875 0.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7765 0.2243 -1.9524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9665 3.1733 -0.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3917 2.0207 -1.8331 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2811 2.0020 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0481 0.9116 1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2923 0.7082 1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9822 2.3121 1.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 10 1 0 0 0 0 2 31 1 0 0 0 0 3 12 1 0 0 0 0 3 32 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 15 2 0 0 0 0 7 19 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 36 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 12 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > DB11933 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/USVMJSALORZVDV-SDBHATRESA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(N2C=NC3=C(NCC=C(C)C)N=CN=C23)[C@]([H])(O)[C@]1([H])O > InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)/t9-,11-,12-,15-/m1/s1 > USVMJSALORZVDV-SDBHATRESA-N > C15H21N5O4 > 335.3583 > 335.159354185 > 8 > 45 > 0.004971406560697501 > 35.14101621637265 > 1 > 4 > 0 > 0 > (2R,3S,4R,5R)-2-(hydroxymethyl)-5-{6-[(3-methylbut-2-en-1-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol > 0.25 > -0.4280137006666672 > -1.90 > 0 > 0 > 3 > 0 > 13.890339772699692 > 12.453969704356634 > 3.721924306447116 > 125.55000000000001 > 87.80719999999998 > 5 > 1 > 4.23e+00 g/l > biotin > 0 $$$$