219024 -OEChem-10051720493D 46 49 0 1 0 0 0 0 0999 V2000 -3.5731 0.8784 1.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0892 2.7308 -1.0634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6906 2.5809 -1.8647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1246 1.4757 2.1483 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5976 2.9456 -0.2911 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.6672 0.1459 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3085 -2.8761 -0.0208 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 -0.5348 0.0604 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -2.7489 -0.1578 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6812 -0.8242 -0.0559 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -4.7480 -0.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7809 -1.5921 -0.1620 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3771 1.7586 0.5691 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 1.4327 -1.0626 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3925 0.7482 0.2747 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1956 1.5197 -1.0767 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5222 1.6997 0.3957 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.9342 1.2762 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -1.1961 0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9222 -1.7171 0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9722 -2.5652 -0.0495 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1714 -3.3501 -0.1583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4151 -1.3985 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 0.5108 0.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3213 0.6220 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7779 -0.7038 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0688 1.8401 0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2461 2.9028 0.7259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2898 0.9001 -1.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5699 1.2276 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6066 0.5738 -1.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3597 2.7362 0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1034 0.2152 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6809 1.8666 0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1255 2.6100 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6590 2.5852 -1.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9941 -1.5830 0.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4545 0.9477 2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8303 -5.1990 -0.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9201 -5.2968 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 1.2654 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7931 -1.0675 -0.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7286 0.8608 0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 3.5709 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2767 2.5506 0.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 3.4327 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 14 1 0 0 0 0 2 35 1 0 0 0 0 3 16 1 0 0 0 0 3 36 1 0 0 0 0 4 18 1 0 0 0 0 4 38 1 0 0 0 0 5 27 2 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 20 2 0 0 0 0 7 21 1 0 0 0 0 8 19 2 0 0 0 0 8 23 1 0 0 0 0 9 22 1 0 0 0 0 9 23 2 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 26 2 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 42 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 M END > DB06213 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LZPZPHGJDAGEJZ-AKAIJSEGSA-N/SDF?record_type=3d > CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1 > InChI=1S/C15H18N8O5/c1-17-13(27)6-2-19-23(3-6)15-20-11(16)8-12(21-15)22(5-18-8)14-10(26)9(25)7(4-24)28-14/h2-3,5,7,9-10,14,24-26H,4H2,1H3,(H,17,27)(H2,16,20,21)/t7-,9-,10-,14-/m1/s1 > LZPZPHGJDAGEJZ-AKAIJSEGSA-N > C15H18N8O5 > 390.354 > 390.140015726 > 10 > 46 > -2.312389001845979e-06 > 38.24606230479475 > 1 > 5 > 0 > 0 > 1-{6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-2-yl}-N-methyl-1H-pyrazole-4-carboxamide > -0.89 > -2.2520429833333333 > -1.91 > 0 > 0 > 4 > 0 > 13.06680680683318 > 12.348753543717248 > 1.5424289408919785 > 186.46000000000006 > 95.4784 > 4 > 1 > 4.85e+00 g/l > biotin > 0 $$$$