General Information of the Compound
| Compound ID |
CP0500207
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| Compound Name |
2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
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| Structure |
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| Formula |
C25H25FN4O
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| Molecular Weight |
416.5
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| Canonical SMILES |
Cc1cnc(COc2ccc(cc2)-c2nn(CCF)cc2-c2ccncc2)c(C)c1C
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| InChI |
InChI=1S/C25H25FN4O/c1-17-14-28-24(19(3)18(17)2)16-31-22-6-4-21(5-7-22)25-23(15-30(29-25)13-10-26)20-8-11-27-12-9-20/h4-9,11-12,14-15H,10,13,16H2,1-3H3
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| InChIKey |
CSSLCJQGXMBANY-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