General Information of the Compound
| Compound ID |
CP0483818
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| Compound Name |
[[(2R,3S,4R,5R)-5-(6-amino-8-thiophen-3-ylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
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| Structure |
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| Formula |
C19H25N5O14P2S
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| Molecular Weight |
641.445
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| Canonical SMILES |
Nc1ncnc2n([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c(nc12)-c1ccsc1
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| InChI |
InChI=1S/C19H25N5O14P2S/c20-15-10-17(22-6-21-15)24(16(23-10)7-1-2-41-5-7)18-13(27)11(25)8(36-18)3-34-39(30,31)38-40(32,33)35-4-9-12(26)14(28)19(29)37-9/h1-2,5-6,8-9,11-14,18-19,25-29H,3-4H2,(H,30,31)(H,32,33)(H2,20,21,22)/t8-,9-,11-,12-,13-,14-,18-,19?/m1/s1
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| InChIKey |
VXKSKKNHOLEBBH-PQGACECDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound