General Information of the Compound
| Compound ID |
CP0418073
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| Compound Name |
ethyl 2-(2-phenylethyl)-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C24H20F3N5O3
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| Molecular Weight |
483.45
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| Canonical SMILES |
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(CCc3ccccc3)cc12
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| InChI |
InChI=1S/C24H20F3N5O3/c1-2-35-22(34)19-18-14-32(13-12-15-6-4-3-5-7-15)31-20(18)29-23(28-19)30-21(33)16-8-10-17(11-9-16)24(25,26)27/h3-11,14H,2,12-13H2,1H3,(H,29,30,31,33)
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| InChIKey |
RMRWXGUDLHYZCL-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