General Information of the Compound
| Compound ID |
CP0521937
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| Compound Name |
8-(4-Amino-phenyl)-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
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| Structure |
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| Formula |
C18H23N5O2
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| Molecular Weight |
341.415
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| Canonical SMILES |
CCCn1c2nc(-c3ccc(N)cc3)n(C)c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C18H23N5O2/c1-4-10-22-16-14(17(24)23(11-5-2)18(22)25)21(3)15(20-16)12-6-8-13(19)9-7-12/h6-9H,4-5,10-11,19H2,1-3H3
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| InChIKey |
HKELGASCWOXSKD-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