General Information of the Compound
| Compound ID |
CP0517799
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| Compound Name |
4-[4-[1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridin-3-yl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanamide
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| Structure |
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| Formula |
C23H23F3N4O6S
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| Molecular Weight |
540.52
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| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(=O)(=O)CCCC(N)=O)C(F)(F)F)cc1OC
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| InChI |
InChI=1S/C23H23F3N4O6S/c1-35-17-7-5-14(10-18(17)36-2)12-30-13-15(6-8-21(30)32)16-11-19(23(24,25)26)29-22(28-16)37(33,34)9-3-4-20(27)31/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H2,27,31)
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| InChIKey |
QJYZJVBZTNGQJL-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