General Information of the Compound
| Compound ID |
CP0400549
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| Compound Name |
2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-(trifluoromethyl)pyridine
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| Structure |
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| Formula |
C23H18F4N4O
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| Molecular Weight |
442.416
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| Canonical SMILES |
FCCn1cc(c(n1)-c1ccc(OCc2ccc(cn2)C(F)(F)F)cc1)-c1ccncc1
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| InChI |
InChI=1S/C23H18F4N4O/c24-9-12-31-14-21(16-7-10-28-11-8-16)22(30-31)17-1-5-20(6-2-17)32-15-19-4-3-18(13-29-19)23(25,26)27/h1-8,10-11,13-14H,9,12,15H2
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| InChIKey |
KOIGJEKJDZLWRT-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