General Information of the Compound
| Compound ID |
CP0163764
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| Compound Name |
5-Butyl-8-(3-chloro-phenyl)-3H-[1,2,4]triazolo[5,1-i]purine
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| Structure |
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| Formula |
C16H15ClN6
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| Molecular Weight |
326.791
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| Canonical SMILES |
CCCCc1nc2nc[nH]c2c2nc(nn12)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C16H15ClN6/c1-2-3-7-12-20-15-13(18-9-19-15)16-21-14(22-23(12)16)10-5-4-6-11(17)8-10/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
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| InChIKey |
YGQXYWAAJBCJOW-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3