General Information of the Compound
| Compound ID |
CP0431050
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| Compound Name |
9-Cycloheptyl-9H-adenine
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| Synonyms |
6-Amino-9-cycloheptyl-9H-purine
6961-60-0
9-Cycloheptyl-9H-adenine
9-Cycloheptyl-9H-purin-6-ylamine
9-cycloheptyl-9h-purin-6-amine
9-cycloheptylpurin-6-amine
9H-Purin-6-amine, 9-cycloheptyl-
AC1L6KRZ
AC1Q4VH9
BDBM50013702
CHEMBL62835
CTK5D0614
DTXSID20289678
NSC-62733
NSC62733
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| Structure |
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| Formula |
C12H17N5
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| Molecular Weight |
231.303
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| Canonical SMILES |
Nc1ncnc2n(cnc12)C1CCCCCC1
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| InChI |
InChI=1S/C12H17N5/c13-11-10-12(15-7-14-11)17(8-16-10)9-5-3-1-2-4-6-9/h7-9H,1-6H2,(H2,13,14,15)
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| InChIKey |
FHZRSYFMJLJWBS-UHFFFAOYSA-N
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| CAS |
6961-60-0
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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