General Information of the Compound
| Compound ID |
CP0425788
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| Compound Name |
3-Benzyl-6-ethyl-9-phenyl-1-pyridin-4-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C28H22N6O
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| Molecular Weight |
458.525
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| Canonical SMILES |
CCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C28H22N6O/c1-2-24-30-27-25(23-17-22(31-34(23)24)20-11-7-4-8-12-20)26(21-13-15-29-16-14-21)32-33(28(27)35)18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3
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| InChIKey |
CJFKDWZUTAKCKB-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