General Information of the Compound
| Compound ID |
CP0546925
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| Compound Name |
N-benzyl-2-methyl-3-propan-2-ylpyrazolo[3,4-d]pyridazin-7-amine
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| Structure |
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| Formula |
C16H19N5
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| Molecular Weight |
281.363
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| Canonical SMILES |
CC(C)c1n(C)nc2c(NCc3ccccc3)nncc12
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| InChI |
InChI=1S/C16H19N5/c1-11(2)15-13-10-18-19-16(14(13)20-21(15)3)17-9-12-7-5-4-6-8-12/h4-8,10-11H,9H2,1-3H3,(H,17,19)
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| InChIKey |
BMECWJGCTQNYAG-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