General Information of the Compound
| Compound ID |
CP0400551
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| Compound Name |
3-bromo-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methoxypyridine
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| Structure |
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| Formula |
C23H20BrFN4O2
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| Molecular Weight |
483.341
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| Canonical SMILES |
COc1ccc(Br)c(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)n1
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| InChI |
InChI=1S/C23H20BrFN4O2/c1-30-22-7-6-20(24)21(27-22)15-31-18-4-2-17(3-5-18)23-19(14-29(28-23)13-10-25)16-8-11-26-12-9-16/h2-9,11-12,14H,10,13,15H2,1H3
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| InChIKey |
YRPVOUBCSHQTDH-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