General Information of the Compound
| Compound ID |
CP0381892
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| Compound Name |
8-Bromo-9-(2-hydroxypropyl)-9H-adenine
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| Synonyms |
8-Bromo-9-(2-hydroxypropyl)-9H-adenine
98411-78-0
CHEMBL475617
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| Structure |
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| Formula |
C8H10BrN5O
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| Molecular Weight |
272.106
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| Canonical SMILES |
CC(O)Cn1c(Br)nc2c(N)ncnc12
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| InChI |
InChI=1S/C8H10BrN5O/c1-4(15)2-14-7-5(13-8(14)9)6(10)11-3-12-7/h3-4,15H,2H2,1H3,(H2,10,11,12)
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| InChIKey |
MMKXSEBGGSBLDX-UHFFFAOYSA-N
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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