General Information of the Compound
| Compound ID |
CP0446616
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| Compound Name |
4-[2-[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]ethyl]benzene-1,2-diol
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| Structure |
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| Formula |
C17H15N5O3S
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| Molecular Weight |
369.406
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| Canonical SMILES |
Nc1nc(NCCc2ccc(O)c(O)c2)nc2sc(nc12)-c1ccco1
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| InChI |
InChI=1S/C17H15N5O3S/c18-14-13-16(26-15(20-13)12-2-1-7-25-12)22-17(21-14)19-6-5-9-3-4-10(23)11(24)8-9/h1-4,7-8,23-24H,5-6H2,(H3,18,19,21,22)
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| InChIKey |
KLLJKZAKUJQFQR-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