General Information of the Compound
| Compound ID |
CP0500206
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| Compound Name |
3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
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| Structure |
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| Formula |
C22H18F2N4O
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| Molecular Weight |
392.409
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| Canonical SMILES |
FCCn1cc(c(n1)-c1ccc(OCc2ncccc2F)cc1)-c1ccncc1
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| InChI |
InChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2
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| InChIKey |
SQYFTBKDXCODEM-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