General Information of the Compound
| Compound ID |
CP0444778
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| Compound Name |
2-(2-methoxyphenyl)-5-(3-phenylpropyl)pyrazolo[4,3-d]pyrimidin-7-amine
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| Structure |
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| Formula |
C21H21N5O
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| Molecular Weight |
359.433
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| Canonical SMILES |
COc1ccccc1-n1cc2nc(CCCc3ccccc3)nc(N)c2n1
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| InChI |
InChI=1S/C21H21N5O/c1-27-18-12-6-5-11-17(18)26-14-16-20(25-26)21(22)24-19(23-16)13-7-10-15-8-3-2-4-9-15/h2-6,8-9,11-12,14H,7,10,13H2,1H3,(H2,22,23,24)
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| InChIKey |
JKHCHBLVGYHBMJ-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