General Information of the Compound
| Compound ID |
CP0546740
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| Compound Name |
3-methyl-1H-quinazoline-2,4-dione
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| Structure |
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| Formula |
C9H8N2O2
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| Molecular Weight |
176.175
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| Canonical SMILES |
Cn1c(=O)[nH]c2ccccc2c1=O
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| InChI |
InChI=1S/C9H8N2O2/c1-11-8(12)6-4-2-3-5-7(6)10-9(11)13/h2-5H,1H3,(H,10,13)
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| InChIKey |
LFGZKCYBINPOTA-UHFFFAOYSA-N
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| CAS |
607-19-2
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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: PT01279, Adenosine receptor A3