General Information of the Compound
| Compound ID |
CP0921018
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| Compound Name |
2-((5-Chlorothiophen-2-yl)ethynyl)-N-cyclopentyl-9H-purin-6-amine
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| Structure |
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| Formula |
C16H14ClN5S
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| Molecular Weight |
343.843
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| Canonical SMILES |
Clc1ccc(C#Cc2nc(NC3CCCC3)c3nc[nH]c3n2)s1
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| InChI |
InChI=1S/C16H14ClN5S/c17-12-7-5-11(23-12)6-8-13-21-15-14(18-9-19-15)16(22-13)20-10-3-1-2-4-10/h5,7,9-10H,1-4H2,(H2,18,19,20,21,22)
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| InChIKey |
XZDRDRRVIDEBHK-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
Protein ID: PT01598, Alpha-2C adrenergic receptor