General Information of the Compound
| Compound ID |
CP0417738
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| Compound Name |
2-(4-Methoxyphenyl)-8-phenylethylpyrazolo[4,3-e]1,2,4-triazolo[1,5-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H19N7O
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| Molecular Weight |
385.431
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2c3cn(CCc4ccccc4)nc3nc(N)n2n1
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| InChI |
InChI=1S/C21H19N7O/c1-29-16-9-7-15(8-10-16)18-23-20-17-13-27(12-11-14-5-3-2-4-6-14)25-19(17)24-21(22)28(20)26-18/h2-10,13H,11-12H2,1H3,(H2,22,24,25)
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| InChIKey |
RWUVXOBBTQTDLL-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