General Information of the Compound
| Compound ID |
CP0453968
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| Compound Name |
1-Benzyl-3-cyclopropylmethyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
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| Structure |
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| Formula |
C20H18N4O2
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| Molecular Weight |
346.39
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| Canonical SMILES |
O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC1CC1
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| InChI |
InChI=1S/C20H18N4O2/c25-19-17-18(21-16-8-4-5-11-22(16)17)23(12-14-6-2-1-3-7-14)20(26)24(19)13-15-9-10-15/h1-8,11,15H,9-10,12-13H2
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| InChIKey |
SGNCTBLOFLIZCK-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: PT00862, Adenosine receptor A2a
Protein ID: PT01279, Adenosine receptor A3