General Information of the Compound
| Compound ID |
CP0496657
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| Compound Name |
2,4-Bis-n-propyl-4,9-dihydro-2,4,5,9-tetraaza-fluorene-1,3-dione
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| Structure |
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| Formula |
C15H18N4O2
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| Molecular Weight |
286.335
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| Canonical SMILES |
CCCn1c2c3ccncc3[nH]c2c(=O)n(CCC)c1=O
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| InChI |
InChI=1S/C15H18N4O2/c1-3-7-18-13-10-5-6-16-9-11(10)17-12(13)14(20)19(8-4-2)15(18)21/h5-6,9,17H,3-4,7-8H2,1-2H3
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| InChIKey |
JVKLADVBMSHKIA-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