General Information of the Compound
| Compound ID |
CP0472357
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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]-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanamide
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| Structure |
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| Formula |
C25H25N7O5S2
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| Molecular Weight |
567.653
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| Canonical SMILES |
Nc1nc(nc2sc(nc12)-c1ccco1)N1CCC(CNC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1
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| InChI |
InChI=1S/C25H25N7O5S2/c26-21-20-23(38-22(28-20)17-5-3-13-37-17)30-25(29-21)31-10-7-15(8-11-31)14-27-19(33)9-12-32-24(34)16-4-1-2-6-18(16)39(32,35)36/h1-6,13,15H,7-12,14H2,(H,27,33)(H2,26,29,30)
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| InChIKey |
PMUTYNGFYXBVDY-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