General Information of the Compound
| Compound ID |
CP0426831
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| Compound Name |
2-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]guanidine
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| Structure |
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| Formula |
C11H16N8O3
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| Molecular Weight |
308.302
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| Canonical SMILES |
NC(N)=N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C11H16N8O3/c12-8-6-9(16-2-15-8)19(3-17-6)10-7(21)5(18-11(13)14)4(1-20)22-10/h2-5,7,10,20-21H,1H2,(H2,12,15,16)(H4,13,14,18)/t4-,5-,7-,10-/m1/s1
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| InChIKey |
KBXJTSXSIAEOJJ-QYYRPYCUSA-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
Protein ID: PT01608, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3