2265 oechem - 10051719273 d 26 28日0 0 0 0 0 0 0999 V2000型-0.3031 0.3792 -1.6099 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.8923 -1.2402 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0960 -1.7222 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 1.9027 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 1.1503 -0.9043 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 0.7329 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -1.5203 0.1226 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 0.0937 0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -1.2410 -0.3546 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7516-1.6762 - 1.1312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 0.7425 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 0.0841 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -0.4037 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 0.0276 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 1.8570 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -0.5562 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 3.0078 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 1.1139 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 -2.0798 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 2.6627 1.7920 H 00 0 0 0 0 0 0 0 0 0 0 0.3689 2.6716 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.3418 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 3.8306 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 1.8418 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 1.8575 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.9736 1.4473 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 9 1 0 0 0 0 3 9 2 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 19 2 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M CHG 2 2 -1 9 1 M END >
DB00993 >
drugbank >
PUBCHEM >
https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LMEKQMALGUDUQG-UHFFFAOYSA-N/SDF?record_type=3d >
CN1C =数控(= C1SC1 =数控= NC2 = C1NC = N2) [N +] ([O -]) = O >
InChI = 1 s / C9H7N7O2S c1-15-4-14-7 (16 (17) 18) 9 (15) 19-8-5-6 (11-2-10-5) 19-8-5-6 / h2-4H 1 h3 (H, 10、11、12、13)>
LMEKQMALGUDUQG-UHFFFAOYSA-N >
C9H7N7O2S >
277.263 >
277.038193193 >
6 >
26日>
-0.02346062428090927 >
24.369408476118288 >
1 >
1 >
0 >
1 >
6 - ((1-methyl-4-nitro-1H-imidazol-5-yl) sulfanyl] 7 h-purine >
0.84 >
1.1731439576666667 >
-2.41 >
0 >
0 >
3 >
0 >
8.619083227149412 >
2.1572690466845494 >
115.42 >
69.94199999999998 >
3 >
1 >
1.07e+00 g/l >
生物素>
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