General Information of the Compound
| Compound ID |
CP0499511
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| Compound Name |
1-Methyl-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
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| Structure |
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| Formula |
C13H14N4O2
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| Molecular Weight |
258.281
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| Canonical SMILES |
CCCn1c(=O)n(C)c2nc3ccccn3c2c1=O
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| InChI |
InChI=1S/C13H14N4O2/c1-3-7-17-12(18)10-11(15(2)13(17)19)14-9-6-4-5-8-16(9)10/h4-6,8H,3,7H2,1-2H3
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| InChIKey |
PUHQULGBXGXREB-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: PT01279, Adenosine receptor A3