General Information of the Compound
| Compound ID |
CP0228381
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| Compound Name |
2-(6-Amino-purin-9-yl)-ethanol
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| Synonyms |
2-(6-Amino-9H-purin-9-yl)ethanol
2-(6-aminopurin-9-yl)ethanol
6-Amino-9-(2-hydroxyethyl)purine
6-Amino-9H-purin-9-ethanol
6-Amino-9h-purine-9-ethanol
707-99-3
9-(2'-hydroxyethyl)adenine
9-(2-Hydroxyethyl)-9H-adenine
9-(2-Hydroxyethyl)adenine
9-(2-Hydroxyethyl)adenine9-(2-hydroxyethyl) adenine
9-(2hydroxyethyl)adenine
9h-purine-9-ethanol, 6-amino-
AC1L69W8
AC1Q4VHV
ACMC-209og5
CHEMBL95897
KS-00000VZR
N9 -hydroxyethyladenine
NSC51467
SCHEMBL984944
TimTec1_003634
VAQOTZQDXZDBJK-UHFFFAOYSA-N
ZINC36416
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| Structure |
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| Formula |
C7H9N5O
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| Molecular Weight |
179.183
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| Canonical SMILES |
Nc1ncnc2n(CCO)cnc12
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| InChI |
InChI=1S/C7H9N5O/c8-6-5-7(10-3-9-6)12(1-2-13)4-11-5/h3-4,13H,1-2H2,(H2,8,9,10)
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| InChIKey |
VAQOTZQDXZDBJK-UHFFFAOYSA-N
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| CAS |
707-99-3
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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
Clinical Information about the Compound