General Information of the Compound
| Compound ID |
CP0253817
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| Compound Name |
4-{2-phenylpyrazolo[1,5-a]pyridazin-3-yl}-N-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C23H15F3N6
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| Molecular Weight |
432.409
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| Canonical SMILES |
FC(F)(F)c1cccc(Nc2nccc(n2)-c2c(nn3ncccc23)-c2ccccc2)c1
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| InChI |
InChI=1S/C23H15F3N6/c24-23(25,26)16-8-4-9-17(14-16)29-22-27-13-11-18(30-22)20-19-10-5-12-28-32(19)31-21(20)15-6-2-1-3-7-15/h1-14H,(H,27,29,30)
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| InChIKey |
BLAJHXAFHKBZSN-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