General Information of the Compound
| Compound ID |
CP0001582
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| Compound Name |
2-(4-Methoxy-phenyl)-5H-3,3a,5,9b-tetraaza-cyclopenta[a]naphthalene-1,4-dione
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| Structure |
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| Formula |
C16H12N4O3
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| Molecular Weight |
308.297
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| Canonical SMILES |
COc1ccc(cc1)-c1nn2n(c3ccccc3[nH]c2=O)c1=O
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| InChI |
InChI=1S/C16H12N4O3/c1-23-11-8-6-10(7-9-11)14-15(21)19-13-5-3-2-4-12(13)17-16(22)20(19)18-14/h2-9H,1H3,(H,17,22)
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| InChIKey |
PKJGSRHYDOGGLB-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