General Information of the Compound
| Compound ID |
CP0376533
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| Compound Name |
1-Benzyl-7-methoxy-3-propyl-1H-1,3,4b,9-tetraaza-fluorene-2,4-dione
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| Structure |
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| Formula |
C20H20N4O3
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| Molecular Weight |
364.405
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| Canonical SMILES |
CCCn1c(=O)n(Cc2ccccc2)c2nc3cc(OC)ccn3c2c1=O
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| InChI |
InChI=1S/C20H20N4O3/c1-3-10-23-19(25)17-18(21-16-12-15(27-2)9-11-22(16)17)24(20(23)26)13-14-7-5-4-6-8-14/h4-9,11-12H,3,10,13H2,1-2H3
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| InChIKey |
ZOGPOQHYQBSBBL-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: PT01279, Adenosine receptor A3