General Information of the Compound
| Compound ID |
CP0444694
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| Compound Name |
4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)pyrrolo[1,2-b]pyridazine-2-carboxamide
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cc2cc(nn3cccc23)C(=O)NC2CCOCC2)cc1
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| InChI |
InChI=1S/C24H25N5O2/c1-28-16-20(15-25-28)18-6-4-17(5-7-18)13-19-14-22(27-29-10-2-3-23(19)29)24(30)26-21-8-11-31-12-9-21/h2-7,10,14-16,21H,8-9,11-13H2,1H3,(H,26,30)
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| InChIKey |
IFCBFQBFMHWIAK-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