General Information of the Compound
| Compound ID |
CP0490671
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| Compound Name |
1-Benzyl-3-prop-2-ynyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
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| Structure |
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| Formula |
C19H14N4O2
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| Molecular Weight |
330.347
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| Canonical SMILES |
O=c1n(Cc2ccccc2)c2nc3ccccn3c2c(=O)n1CC#C
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| InChI |
InChI=1S/C19H14N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h1,3-10,12H,11,13H2
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| InChIKey |
IEYFOMQJJXPYHX-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