General Information of the Compound
| Compound ID |
CP0446720
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| Compound Name |
2-N-(4-chlorophenyl)-7-N,7-N-diethyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
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| Structure |
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| Formula |
C15H16ClN5S
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| Molecular Weight |
333.848
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| Canonical SMILES |
CCN(CC)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C15H16ClN5S/c1-3-21(4-2)13-12-14(18-9-17-13)22-15(20-12)19-11-7-5-10(16)6-8-11/h5-9H,3-4H2,1-2H3,(H,19,20)
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| InChIKey |
LCWHOXGVDBIAJN-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