General Information of the Compound
| Compound ID |
CP0506363
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| Compound Name |
3-Benzyl-9-phenyl-6-n-propyl-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 |
C29H24N6O
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| Molecular Weight |
472.552
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| Canonical SMILES |
CCCc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2ccncc2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C29H24N6O/c1-2-9-25-31-28-26(24-18-23(32-35(24)25)21-12-7-4-8-13-21)27(22-14-16-30-17-15-22)33-34(29(28)36)19-20-10-5-3-6-11-20/h3-8,10-18H,2,9,19H2,1H3
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| InChIKey |
ZGGYOILMOSVVLZ-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