General Information of the Compound
| Compound ID |
CP0419877
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| Compound Name |
5-bromo-2-[[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(OCc2ccc(Br)cn2)cc1)-c1ccncc1
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| InChI |
InChI=1S/C22H18BrFN4O/c23-18-3-4-19(26-13-18)15-29-20-5-1-17(2-6-20)22-21(14-28(27-22)12-9-24)16-7-10-25-11-8-16/h1-8,10-11,13-14H,9,12,15H2
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| InChIKey |
SQPLCAZABPNRHV-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