General Information of the Compound
| Compound ID |
CP0022878
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| Compound Name |
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-{pyrazolo[1,5-a]pyridazin-3-yl}pyrimidin-2-amine
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| Structure |
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| Formula |
C18H14N6O2
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| Molecular Weight |
346.35
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| Canonical SMILES |
C1COc2cc(Nc3nccc(n3)-c3cnn4ncccc34)ccc2O1
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| InChI |
InChI=1S/C18H14N6O2/c1-2-15-13(11-21-24(15)20-6-1)14-5-7-19-18(23-14)22-12-3-4-16-17(10-12)26-9-8-25-16/h1-7,10-11H,8-9H2,(H,19,22,23)
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| InChIKey |
WIIIHAKKVLVGJX-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