General Information of the Compound
| Compound ID |
CP0420719
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| Compound Name |
8-[3-(3-chlorophenyl)prop-2-ynyl]-1,3-dimethyl-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
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| Structure |
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| Formula |
C19H18ClN5O2
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| Molecular Weight |
383.839
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| Canonical SMILES |
Cn1c2nc3CN(CC#Cc4cccc(Cl)c4)CCn3c2c(=O)n(C)c1=O
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| InChI |
InChI=1S/C19H18ClN5O2/c1-22-17-16(18(26)23(2)19(22)27)25-10-9-24(12-15(25)21-17)8-4-6-13-5-3-7-14(20)11-13/h3,5,7,11H,8-10,12H2,1-2H3
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| InChIKey |
IQFMIXXYUGSEJM-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: PT01278, Adenosine receptor A2b
Protein ID: PT01279, Adenosine receptor A3