General Information of the Compound
| Compound ID |
CP0105098
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| Compound Name |
2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
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| Structure |
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| Formula |
C23H21FN4O2
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| Molecular Weight |
404.445
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)nc1
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| InChI |
InChI=1S/C23H21FN4O2/c1-29-21-7-4-19(26-14-21)16-30-20-5-2-18(3-6-20)23-22(15-28(27-23)13-10-24)17-8-11-25-12-9-17/h2-9,11-12,14-15H,10,13,16H2,1H3
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| InChIKey |
RTNYSNRMZBOTJO-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