General Information of the Compound
| Compound ID |
CP0429030
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| Compound Name |
[4-(6-aminopurin-9-yl)butoxy-hydroxyphosphoryl] [(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl hydrogen phosphate
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| Structure |
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| Formula |
C14H23N5O11P2
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| Molecular Weight |
499.31
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| Canonical SMILES |
Nc1ncnc2n(CCCCOP(O)(=O)OP(O)(=O)OC[C@H]3OC(O)[C@H](O)[C@@H]3O)cnc12
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| InChI |
InChI=1S/C14H23N5O11P2/c15-12-9-13(17-6-16-12)19(7-18-9)3-1-2-4-27-31(23,24)30-32(25,26)28-5-8-10(20)11(21)14(22)29-8/h6-8,10-11,14,20-22H,1-5H2,(H,23,24)(H,25,26)(H2,15,16,17)/t8-,10-,11-,14?/m1/s1
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| InChIKey |
QLSSVVPBPOLFQA-OYBGHCQBSA-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