General Information of the Compound
| Compound ID |
CP0387788
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| Compound Name |
8-[2-methyl-5-[(4-oxo-3H-quinazolin-2-yl)methoxy]pyrazol-3-yl]-1,3-dipropyl-7H-purine-2,6-dione
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| Structure |
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| Formula |
C24H26N8O4
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| Molecular Weight |
490.524
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCc2nc3ccccc3c(=O)[nH]2)nn1C
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| InChI |
InChI=1S/C24H26N8O4/c1-4-10-31-21-19(23(34)32(11-5-2)24(31)35)27-20(28-21)16-12-18(29-30(16)3)36-13-17-25-15-9-7-6-8-14(15)22(33)26-17/h6-9,12H,4-5,10-11,13H2,1-3H3,(H,27,28)(H,25,26,33)
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| InChIKey |
MKTURYJRZQGYAQ-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a
Protein ID: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3