64147 -OEChem-10051719383D 47 48 0 1 0 0 0 0 0999 V2000 -0.1806 -1.4633 -0.2621 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -0.9473 0.0313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 -3.6457 -1.9608 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 -0.6191 1.7263 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8236 2.6491 -0.6324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2102 0.2134 0.5161 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7975 1.2322 0.2652 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3407 -0.9530 0.5120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 2.2218 -0.1095 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2072 0.4234 -0.1116 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4684 -1.8531 0.4403 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 1.7871 -0.6711 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5736 0.6926 -0.3294 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0860 -2.5273 0.0410 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2707 -1.9567 0.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0142 2.4722 0.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 2.8436 -1.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0024 -0.3543 0.6156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2753 -0.8274 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5283 -3.1568 -1.2734 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5401 0.1042 0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9894 1.3343 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8893 1.5118 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3985 1.5532 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -0.7348 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6754 1.3039 -1.1532 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8640 0.1722 -1.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5549 -3.2767 0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -1.5633 1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9917 -2.7661 0.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2462 3.2104 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5554 1.7585 1.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8072 3.0057 1.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2575 3.5371 -1.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8728 3.4313 -1.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4264 2.3693 -2.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5128 -0.2989 1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7969 -1.5255 1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2121 -3.9939 -1.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 -2.4309 -1.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4582 0.4758 0.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5951 1.6500 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1231 1.8856 0.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0102 -1.8704 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2219 -2.8943 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 -1.8266 0.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0628 -2.7374 0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 3 45 1 0 0 0 0 4 18 2 0 0 0 0 5 24 2 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 6 23 1 0 0 0 0 7 13 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 21 1 0 0 0 0 8 25 1 0 0 0 0 8 44 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 24 1 0 0 0 0 10 25 2 0 0 0 0 11 25 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 22 24 1 0 0 0 0 23 43 1 0 0 0 0 M END > DB01610 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WPVFJKSGQUFQAP-GKAPJAKFSA-N/SDF?record_type=3d > CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O > InChI=1S/C14H22N6O5/c1-7(2)9(15)13(23)24-4-8(3-21)25-6-20-5-17-10-11(20)18-14(16)19-12(10)22/h5,7-9,21H,3-4,6,15H2,1-2H3,(H3,16,18,19,22)/t8?,9-/m0/s1 > WPVFJKSGQUFQAP-GKAPJAKFSA-N > C14H22N6O5 > 354.3617 > 354.165167844 > 9 > 47 > 0.7504130687598383 > 34.88428417230349 > 1 > 4 > 0 > 0 > 2-[(2-amino-6-oxo-6,9-dihydro-3H-purin-9-yl)methoxy]-3-hydroxypropyl (2S)-2-amino-3-methylbutanoate > -0.81 > -0.6890366766666669 > -1.87 > 0 > 1 > 2 > 1 > 14.59902899984442 > 11.984123008890073 > 7.477933089760103 > 167.08 > 86.59660000000001 > 9 > 1 > 4.79e+00 g/l > biotin > 0 $$$$