General Information of the Compound
| Compound ID |
CP0445858
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| Compound Name |
N-phenyl-7-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C21H26N6S
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| Molecular Weight |
394.548
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| Canonical SMILES |
C1CCN(CC1)C1CCN(CC1)c1ncnc2sc(Nc3ccccc3)nc12
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| InChI |
InChI=1S/C21H26N6S/c1-3-7-16(8-4-1)24-21-25-18-19(22-15-23-20(18)28-21)27-13-9-17(10-14-27)26-11-5-2-6-12-26/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,24,25)
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| InChIKey |
UZSKMXVNIIITKA-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