General Information of the Compound
| Compound ID |
CP0545475
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| Compound Name |
4-(1-methyl-3-phenylpyrazolo[3,4-d]pyridazin-7-yl)morpholine
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| Structure |
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| Formula |
C16H17N5O
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| Molecular Weight |
295.346
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| Canonical SMILES |
Cn1nc(-c2ccccc2)c2cnnc(N3CCOCC3)c12
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| InChI |
InChI=1S/C16H17N5O/c1-20-15-13(14(19-20)12-5-3-2-4-6-12)11-17-18-16(15)21-7-9-22-10-8-21/h2-6,11H,7-10H2,1H3
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| InChIKey |
ZMGCMNQAPWXRRM-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