General Information of the Compound
Compound ID |
CP0567269
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Compound Name |
N-[4-(2,4-difluorophenoxy)-3-[1-methyl-4-(2-morpholin-4-ylethoxy)-6-oxopyridin-3-yl]phenyl]ethanesulfonamide
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Structure |
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Formula |
C26H29F2N3O6S
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Molecular Weight |
549.596
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Canonical SMILES |
CCS(=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)-c1cn(C)c(=O)cc1OCCN1CCOCC1
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InChI |
InChI=1S/C26H29F2N3O6S/c1-3-38(33,34)29-19-5-7-23(37-24-6-4-18(27)14-22(24)28)20(15-19)21-17-30(2)26(32)16-25(21)36-13-10-31-8-11-35-12-9-31/h4-7,14-17,29H,3,8-13H2,1-2H3
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InChIKey |
WDHABTCHPGDZKV-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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