General Information of the Compound
| Compound ID |
CP0448363
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| Compound Name |
ethyl 6-[(4-methylbenzoyl)amino]-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C19H21N5O3
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| Molecular Weight |
367.409
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| Canonical SMILES |
CCOC(=O)c1nc(NC(=O)c2ccc(C)cc2)nc2nn(cc12)C(C)C
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| InChI |
InChI=1S/C19H21N5O3/c1-5-27-18(26)15-14-10-24(11(2)3)23-16(14)21-19(20-15)22-17(25)13-8-6-12(4)7-9-13/h6-11H,5H2,1-4H3,(H,21,22,23,25)
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| InChIKey |
AISSNBLVMLYLSU-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