General Information of the Compound
| Compound ID |
CP0418077
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| Compound Name |
ethyl 6-[(4-bromobenzoyl)amino]-2-(2-phenylethyl)pyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C23H20BrN5O3
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| Molecular Weight |
494.349
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| Canonical SMILES |
CCOC(=O)c1nc(NC(=O)c2ccc(Br)cc2)nc2nn(CCc3ccccc3)cc12
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| InChI |
InChI=1S/C23H20BrN5O3/c1-2-32-22(31)19-18-14-29(13-12-15-6-4-3-5-7-15)28-20(18)26-23(25-19)27-21(30)16-8-10-17(24)11-9-16/h3-11,14H,2,12-13H2,1H3,(H,26,27,28,30)
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| InChIKey |
QBYMRAMFCKTLGT-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