General Information of the Compound
| Compound ID |
CP0398704
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| Compound Name |
1,3-dibutyl-9-(4-hydroxyphenyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C22H29N5O3
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| Molecular Weight |
411.506
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| Canonical SMILES |
CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(O)cc1
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| InChI |
InChI=1S/C22H29N5O3/c1-3-5-12-26-19-18(20(29)27(22(26)30)13-6-4-2)25-15-7-14-24(21(25)23-19)16-8-10-17(28)11-9-16/h8-11,28H,3-7,12-15H2,1-2H3
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| InChIKey |
UXWMLNFJBHUBNO-UHFFFAOYSA-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3