General Information of the Compound
| Compound ID |
CP0385412
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| Compound Name |
9-Propyl-9H-adenine
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| Synonyms |
707-98-2
9-Propyl-9H-adenine
9-Propyl-9H-purine-6-amine
9-propyl-9H-purin-6-ylamine
9-propyl-9h-purin-6-amine
9-propyladenine
9-propylpurin-6-amine
AC1L6K9K
AC1Q4VHN
BDBM50256891
CHEMBL475023
CTK5D3013
DTXSID10289561
NSC-61961
NSC61961
SCHEMBL233405
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| Structure |
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| Formula |
C8H11N5
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| Molecular Weight |
177.211
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| Canonical SMILES |
CCCn1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C8H11N5/c1-2-3-13-5-12-6-7(9)10-4-11-8(6)13/h4-5H,2-3H2,1H3,(H2,9,10,11)
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| InChIKey |
QTULKOMMYIUZQD-UHFFFAOYSA-N
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| CAS |
707-98-2
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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
Protein ID: PT05120, Transmembrane domain-containing protein TMIGD3
Clinical Information about the Compound