General Information of the Compound
| Compound ID |
CP0425789
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| Compound Name |
3-Benzyl-6-methyl-9-phenyl-1-pyridin-3-yl-pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C27H20N6O
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| Molecular Weight |
444.498
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| Canonical SMILES |
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccnc2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C27H20N6O/c1-18-29-26-24(23-15-22(30-33(18)23)20-11-6-3-7-12-20)25(21-13-8-14-28-16-21)31-32(27(26)34)17-19-9-4-2-5-10-19/h2-16H,17H2,1H3
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| InChIKey |
BADUHXLPFUCAGC-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