General Information of the Compound
| Compound ID |
CP0004429
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| Compound Name |
2-Phenyl-5H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalene-1,4-dione
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| Structure |
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| Formula |
C15H10N4O2
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| Molecular Weight |
278.271
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| Canonical SMILES |
O=c1c(nn2n1c1ccccc1[nH]c2=O)-c1ccccc1
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| InChI |
InChI=1S/C15H10N4O2/c20-14-13(10-6-2-1-3-7-10)17-19-15(21)16-11-8-4-5-9-12(11)18(14)19/h1-9H,(H,16,21)
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| InChIKey |
ZFLBRINMIQTFNB-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: PT01279, Adenosine receptor A3