General Information of the Compound
| Compound ID |
CP0425791
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| Compound Name |
1,6-Dimethyl-9-phenyl-3-(1-phenylethyl)pyrazolo[1',5':1,6]pyrimido-[4,5-d]pyridazin-4(3H)-one
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| Structure |
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| Formula |
C24H21N5O
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| Molecular Weight |
395.466
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| Canonical SMILES |
CC(c1ccccc1)n1nc(C)c2c3cc(nn3c(C)nc2c1=O)-c1ccccc1
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| InChI |
InChI=1S/C24H21N5O/c1-15-22-21-14-20(19-12-8-5-9-13-19)27-29(21)17(3)25-23(22)24(30)28(26-15)16(2)18-10-6-4-7-11-18/h4-14,16H,1-3H3
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| InChIKey |
YSNYZLUBXDTXPJ-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