General Information of the Compound
| Compound ID |
CP0310370
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| Compound Name |
4-[(4-cyano-2-fluorophenoxy)methyl]-2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carbonitrile
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| Structure |
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| Formula |
C23H22FN7O
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| Molecular Weight |
431.475
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)n1ncc(COc2ccc(cc2F)C#N)c1C#N
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| InChI |
InChI=1S/C23H22FN7O/c1-2-16-12-27-23(28-13-16)30-7-5-19(6-8-30)31-21(11-26)18(14-29-31)15-32-22-4-3-17(10-25)9-20(22)24/h3-4,9,12-14,19H,2,5-8,15H2,1H3
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| InChIKey |
SFWORIUDBFNINU-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