General Information of the Compound
| Compound ID |
CP0519957
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| Compound Name |
4-[2-[(7-amino-2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]ethyl]phenol
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| Structure |
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| Formula |
C19H17N5OS
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| Molecular Weight |
363.446
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| Canonical SMILES |
Nc1nc(NCCc2ccc(O)cc2)nc2sc(nc12)-c1ccccc1
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| InChI |
InChI=1S/C19H17N5OS/c20-16-15-18(26-17(22-15)13-4-2-1-3-5-13)24-19(23-16)21-11-10-12-6-8-14(25)9-7-12/h1-9,25H,10-11H2,(H3,20,21,23,24)
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| InChIKey |
QRUMXLQAAAQLDF-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: PT01279, Adenosine receptor A3