General Information of the Compound
| Compound ID |
CP0044933
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| Compound Name |
9-Benzyl-9H-adenine
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| Synonyms |
4261-14-7
9-(Phenylmethyl)-9H-purin-6-amine
9-BENZYL-9H-ADENINE
9-Bap
9-Benzyl-6-aminopurine
9-Benzyl-9H-purin-6-ylamine
9-Benzyl-9H-purine-6-amine
9-Benzyladenine
9-Benzylaminopurine
9-benzyl-9H-purin-6-amine
9-benzylpurin-6-amine
9H-Purin-6-amine, 9-(phenylmethyl)-
9H-Purin-6-amine,9-(phenylmethyl)-
AC1L2FWA
ADENINE, 9-BENZYL-
CCRIS 6908
CHEMBL266094
CTK4I6467
DTXSID70195371
HMS2676M21
MLS000660735
MRHCSNNEUHXNIC-UHFFFAOYSA-N
N(sup 9)-Benzyladenine
N9-Benzyladenine
NSC 35649
SCHEMBL104932
SQ 21611
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| Structure |
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| Formula |
C12H11N5
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| Molecular Weight |
225.255
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| Canonical SMILES |
Nc1ncnc2n(Cc3ccccc3)cnc12
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| InChI |
InChI=1S/C12H11N5/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H2,13,14,15)
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| InChIKey |
MRHCSNNEUHXNIC-UHFFFAOYSA-N
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| CAS |
4261-14-7
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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