General Information of the Compound
| Compound ID |
CP0415543
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| Compound Name |
N-(4-chlorophenyl)-7-(4-methylpiperazin-1-yl)-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
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| Structure |
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| Formula |
C16H17ClN6S
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| Molecular Weight |
360.874
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| Canonical SMILES |
CN1CCN(CC1)c1ncnc2sc(Nc3ccc(Cl)cc3)nc12
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| InChI |
InChI=1S/C16H17ClN6S/c1-22-6-8-23(9-7-22)14-13-15(19-10-18-14)24-16(21-13)20-12-4-2-11(17)3-5-12/h2-5,10H,6-9H2,1H3,(H,20,21)
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| InChIKey |
XBNFKAJLSRWMJV-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