General Information of the Compound
| Compound ID |
CP0380638
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| Compound Name |
ethyl 6-(dibenzoylamino)-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C30H25N5O4
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| Molecular Weight |
519.561
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| Canonical SMILES |
CCOC(=O)c1nc(nc2nn(CCc3ccccc3)cc12)N(C(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C30H25N5O4/c1-2-39-29(38)25-24-20-34(19-18-21-12-6-3-7-13-21)33-26(24)32-30(31-25)35(27(36)22-14-8-4-9-15-22)28(37)23-16-10-5-11-17-23/h3-17,20H,2,18-19H2,1H3
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| InChIKey |
BVRMDLWLOZEBBY-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