General Information of the Compound
| Compound ID |
CP0340023
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| Compound Name |
N-[[1-[7-amino-2-(furan-2-yl)-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]piperidin-4-yl]methyl]-4-sulfamoylbenzamide
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| Structure |
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| Formula |
C22H23N7O4S2
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| Molecular Weight |
513.605
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)c2ccc(cc2)S(N)(=O)=O)CC1
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| InChI |
InChI=1S/C22H23N7O4S2/c23-18-17-21(34-20(26-17)16-2-1-11-33-16)28-22(27-18)29-9-7-13(8-10-29)12-25-19(30)14-3-5-15(6-4-14)35(24,31)32/h1-6,11,13H,7-10,12H2,(H,25,30)(H2,23,27,28)(H2,24,31,32)
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| InChIKey |
APLWPFYUEIDGFU-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