General Information of the Compound
| Compound ID |
CP0398140
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| Compound Name |
N-[[6-[chloro(difluoro)methyl]-2-phenylmethoxypyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C24H23ClF3N3O4S
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| Molecular Weight |
541.979
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1OCc1ccccc1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H23ClF3N3O4S/c1-15(17-8-10-20(19(26)12-17)31-36(2,33)34)22(32)29-13-18-9-11-21(24(25,27)28)30-23(18)35-14-16-6-4-3-5-7-16/h3-12,15,31H,13-14H2,1-2H3,(H,29,32)
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| InChIKey |
IATUAOIRJUINQS-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