General Information of the Compound
| Compound ID |
CP0452190
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| Compound Name |
5-cyclopropyl-2-[[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(OCc2ccc(cn2)C2CC2)cc1)-c1ccncc1
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| InChI |
InChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2
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| InChIKey |
GOPZIRXQPBOORF-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