General Information of the Compound
| Compound ID |
CP0506049
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| Compound Name |
2-[[4-[1-(3-fluoropropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
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| Structure |
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| Formula |
C24H23FN4O2
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| Molecular Weight |
418.472
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| Canonical SMILES |
COc1ccc(COc2ccc(cc2)-c2nn(CCCF)cc2-c2ccncc2)nc1
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| InChI |
InChI=1S/C24H23FN4O2/c1-30-22-8-5-20(27-15-22)17-31-21-6-3-19(4-7-21)24-23(18-9-12-26-13-10-18)16-29(28-24)14-2-11-25/h3-10,12-13,15-16H,2,11,14,17H2,1H3
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| InChIKey |
RXVPQHPBEQUBMD-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