General Information of the Compound
| Compound ID |
CP0271450
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| Compound Name |
N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-2-phenylethanesulfonamide
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| Structure |
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| Formula |
C25H25N5O6S
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| Molecular Weight |
523.571
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| Canonical SMILES |
COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(nc1OCCO)-c1ncccn1
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| InChI |
InChI=1S/C25H25N5O6S/c1-34-19-10-5-6-11-20(19)36-21-22(30-37(32,33)17-12-18-8-3-2-4-9-18)28-24(23-26-13-7-14-27-23)29-25(21)35-16-15-31/h2-11,13-14,31H,12,15-17H2,1H3,(H,28,29,30)
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| InChIKey |
NGLUZGYJAMFNPH-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