General Information of the Compound
| Compound ID |
CP0448365
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| Compound Name |
ethyl 6-(dibenzoylamino)-2-propan-2-ylpyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C25H23N5O4
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| Molecular Weight |
457.49
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| Canonical SMILES |
CCOC(=O)c1nc(nc2nn(cc12)C(C)C)N(C(=O)c1ccccc1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C25H23N5O4/c1-4-34-24(33)20-19-15-29(16(2)3)28-21(19)27-25(26-20)30(22(31)17-11-7-5-8-12-17)23(32)18-13-9-6-10-14-18/h5-16H,4H2,1-3H3
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| InChIKey |
SOXQZCFEPUSJJH-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