General Information of the Compound
| Compound ID |
CP0375232
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| Compound Name |
5-[3-(4-methoxyphenyl)propyl]-2-phenylpyrazolo[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 |
COc1ccc(CCCc2nc(N)c3nn(cc3n2)-c2ccccc2)cc1
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| InChI |
InChI=1S/C21H21N5O/c1-27-17-12-10-15(11-13-17)6-5-9-19-23-18-14-26(16-7-3-2-4-8-16)25-20(18)21(22)24-19/h2-4,7-8,10-14H,5-6,9H2,1H3,(H2,22,23,24)
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| InChIKey |
JVYZZVMFKUDDFA-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