General Information of the Compound
| Compound ID |
CP0231050
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| Compound Name |
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
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| Structure |
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| Formula |
C23H22N6O3S
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| Molecular Weight |
462.535
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| Canonical SMILES |
Cc1cc(C)n(n1)-c1cc(NC(=O)Cc2ccc(cc2)S(C)(=O)=O)nc(n1)-c1ccccn1
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| InChI |
InChI=1S/C23H22N6O3S/c1-15-12-16(2)29(28-15)21-14-20(26-23(27-21)19-6-4-5-11-24-19)25-22(30)13-17-7-9-18(10-8-17)33(3,31)32/h4-12,14H,13H2,1-3H3,(H,25,26,27,30)
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| InChIKey |
ZKEREZNJKGRMFY-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