General Information of the Compound
| Compound ID |
CP0515339
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| Compound Name |
N-[[2-[(4-butylphenyl)methoxy]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C28H31F4N3O4S
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| Molecular Weight |
581.632
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| Canonical SMILES |
CCCCc1ccc(COc2nc(ccc2CNC(=O)C(C)c2ccc(NS(C)(=O)=O)c(F)c2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C28H31F4N3O4S/c1-4-5-6-19-7-9-20(10-8-19)17-39-27-22(12-14-25(34-27)28(30,31)32)16-33-26(36)18(2)21-11-13-24(23(29)15-21)35-40(3,37)38/h7-15,18,35H,4-6,16-17H2,1-3H3,(H,33,36)
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| InChIKey |
ZWLLBJLEERYXJK-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