General Information of the Compound
| Compound ID |
CP0516849
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| Compound Name |
2-[4-[[[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino]methyl]piperidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
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| Structure |
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| Formula |
C25H30N8O4S2
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| Molecular Weight |
570.701
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| Canonical SMILES |
Nc1nc(NCC2CCN(CC(=O)NCCc3ccc(cc3)S(N)(=O)=O)CC2)nc2sc(nc12)-c1ccco1
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| InChI |
InChI=1S/C25H30N8O4S2/c26-22-21-24(38-23(30-21)19-2-1-13-37-19)32-25(31-22)29-14-17-8-11-33(12-9-17)15-20(34)28-10-7-16-3-5-18(6-4-16)39(27,35)36/h1-6,13,17H,7-12,14-15H2,(H,28,34)(H2,27,35,36)(H3,26,29,31,32)
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| InChIKey |
HRFFVTWCZHFHFN-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