General Information of the Compound
| Compound ID |
CP0409614
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| Compound Name |
4-Amino-2-(6-cyclopentylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3-ol
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| Structure |
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| Formula |
C15H22N6O3
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| Molecular Weight |
334.38
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| Canonical SMILES |
N[C@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12
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| InChI |
InChI=1S/C15H22N6O3/c16-10-9(5-22)24-15(12(10)23)21-7-19-11-13(17-6-18-14(11)21)20-8-3-1-2-4-8/h6-10,12,15,22-23H,1-5,16H2,(H,17,18,20)/t9-,10+,12-,15-/m1/s1
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| InChIKey |
VDLILMGMLIFWHR-KVQFHVITSA-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
Protein ID: PT01827, Adenosine receptor A3