General Information of the Compound
| Compound ID |
CP0850612
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| Compound Name |
8-Bromo-N2-phenethyl-9-propyl-9H-purine-2,6-diamine
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| Structure |
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| Formula |
C16H19BrN6
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| Molecular Weight |
375.274
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| Canonical SMILES |
CCCn1c(Br)nc2c(N)nc(NCCc3ccccc3)nc21
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| InChI |
InChI=1S/C16H19BrN6/c1-2-10-23-14-12(20-15(23)17)13(18)21-16(22-14)19-9-8-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H3,18,19,21,22)
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| InChIKey |
MNRXNKIRMSHKTK-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: PT05120, Transmembrane domain-containing protein TMIGD3