General Information of the Compound
| Compound ID |
CP0511563
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| Compound Name |
2-(cyclopropylamino)-7-(2-methoxybenzyl)-9-(3-methoxybenzyl)-7H-purin-8(9H)-one
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
COc1cccc(Cn2c3nc(NC4CC4)ncc3n(Cc3ccccc3OC)c2=O)c1
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| InChI |
InChI=1S/C24H25N5O3/c1-31-19-8-5-6-16(12-19)14-29-22-20(13-25-23(27-22)26-18-10-11-18)28(24(29)30)15-17-7-3-4-9-21(17)32-2/h3-9,12-13,18H,10-11,14-15H2,1-2H3,(H,25,26,27)
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| InChIKey |
SWMYSPAKTVHYON-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