General Information of the Compound
| Compound ID |
CP0427860
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| Compound Name |
[4-(7-amino-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)phenyl]methanol
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| Structure |
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| Formula |
C18H14N4OS
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| Molecular Weight |
334.404
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccccc1)-c1ccc(CO)cc1
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| InChI |
InChI=1S/C18H14N4OS/c19-15-14-18(24-17(20-14)13-4-2-1-3-5-13)22-16(21-15)12-8-6-11(10-23)7-9-12/h1-9,23H,10H2,(H2,19,21,22)
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| InChIKey |
CRRYKFPPDXLMBA-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