General Information of the Compound
| Compound ID |
CP0431051
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| Compound Name |
9-Butyl-9H-adenine
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| Synonyms |
2715-70-0
9-Butyl-9H-adenine
9-Butyl-9H-purin-6-amine
9-Butyl-9H-purin-6-amine, AldrichCPR
9-butyl-9H-purin-6-ylamine
9-butyladenine
9-butylpurin-6-amine
9H-Purin-6-amine, 9-butyl-
9H-Purin-6-amine, 9-butyl- (9CI)
9H-Purin-6-amine,9-butyl-
AC1L2PTM
AC1Q4VHO
AKOS012922662
Adenine, 9-butyl-
BDBM50256951
BKXMJMZKKNIYRD-UHFFFAOYSA-N
CHEMBL449628
CTK4F9171
DTXSID10181617
MCULE-9977877843
MolPort-011-342-029
NSC 19094
NSC-19094
NSC19094
SCHEMBL1074972
ZINC1562338
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| Structure |
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| Formula |
C9H13N5
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| Molecular Weight |
191.238
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| Canonical SMILES |
CCCCn1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C9H13N5/c1-2-3-4-14-6-13-7-8(10)11-5-12-9(7)14/h5-6H,2-4H2,1H3,(H2,10,11,12)
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| InChIKey |
BKXMJMZKKNIYRD-UHFFFAOYSA-N
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| CAS |
2715-70-0
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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