General Information of the Compound
| Compound ID |
CP0418070
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| Compound Name |
ethyl 2-methyl-6-[[4-(trifluoromethyl)benzoyl]amino]pyrazolo[3,4-d]pyrimidine-4-carboxylate
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| Structure |
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| Formula |
C17H14F3N5O3
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| Molecular Weight |
393.325
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| Canonical SMILES |
CCOC(=O)c1nc(NC(=O)c2ccc(cc2)C(F)(F)F)nc2nn(C)cc12
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| InChI |
InChI=1S/C17H14F3N5O3/c1-3-28-15(27)12-11-8-25(2)24-13(11)22-16(21-12)23-14(26)9-4-6-10(7-5-9)17(18,19)20/h4-8H,3H2,1-2H3,(H,22,23,24,26)
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| InChIKey |
CTTSAMREDVDOSI-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