General Information of the Compound
| Compound ID |
CP0134329
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| Compound Name |
9-(3-chlorobenzyl)-1,3-dimethyl-6,7,8,9-tetrahydropyrimido[1,2-a]purine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C17H18ClN5O2
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| Molecular Weight |
359.817
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| Canonical SMILES |
Cn1c2nc3N(Cc4cccc(Cl)c4)CCCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C17H18ClN5O2/c1-20-14-13(15(24)21(2)17(20)25)23-8-4-7-22(16(23)19-14)10-11-5-3-6-12(18)9-11/h3,5-6,9H,4,7-8,10H2,1-2H3
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| InChIKey |
DBKCMQYLIZAYNU-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