General Information of the Compound
| Compound ID |
CP0550419
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| Compound Name |
N-benzyl-1-methyl-3-phenylpyrazolo[3,4-d]pyridazin-7-amine
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| Structure |
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| Formula |
C19H17N5
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| Molecular Weight |
315.38
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| Canonical SMILES |
Cn1nc(-c2ccccc2)c2cnnc(NCc3ccccc3)c12
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| InChI |
InChI=1S/C19H17N5/c1-24-18-16(17(23-24)15-10-6-3-7-11-15)13-21-22-19(18)20-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,20,22)
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| InChIKey |
NITRYQLITNTCTJ-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