General Information of the Compound
| Compound ID |
CP0883987
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| Compound Name |
(R)-2-((5-Chlorothiophen-2-yl)ethynyl)-N-(tetrahydrofuran-3-yl)-9H-purin-6-amine
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| Structure |
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| Formula |
C15H12ClN5OS
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| Molecular Weight |
345.815
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| Canonical SMILES |
Clc1ccc(C#Cc2nc(N[C@@H]3CCOC3)c3nc[nH]c3n2)s1
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| InChI |
InChI=1S/C15H12ClN5OS/c16-11-3-1-10(23-11)2-4-12-20-14-13(17-8-18-14)15(21-12)19-9-5-6-22-7-9/h1,3,8-9H,5-7H2,(H2,17,18,19,20,21)/t9-/m1/s1
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| InChIKey |
URIYBOOXAWAEFR-SECBINFHSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4