General Information of the Compound
| Compound ID |
CP0399328
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| Compound Name |
2-bromo-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
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| Structure |
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| Formula |
C22H18BrFN4O
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| Molecular Weight |
453.315
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| Canonical SMILES |
FCCn1cc(c(n1)-c1ccc(OCc2cccc(Br)n2)cc1)-c1ccncc1
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| InChI |
InChI=1S/C22H18BrFN4O/c23-21-3-1-2-18(26-21)15-29-19-6-4-17(5-7-19)22-20(14-28(27-22)13-10-24)16-8-11-25-12-9-16/h1-9,11-12,14H,10,13,15H2
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| InChIKey |
JPMVMAONVLPNFR-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