General Information of the Compound
| Compound ID |
CP0440262
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| Compound Name |
2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
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| Structure |
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| Formula |
C25H23FN4O
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| Molecular Weight |
414.484
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| Canonical SMILES |
FCCn1cc(c(n1)-c1ccc(OCc2cccc(n2)C2CC2)cc1)-c1ccncc1
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| InChI |
InChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2
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| InChIKey |
LQXFYXGYPVHEKJ-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