General Information of the Compound
| Compound ID |
CP0493749
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[6-(trifluoromethyl)-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C25H22F7N3O3S2
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| Molecular Weight |
609.589
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCc1cccc(c1)C(F)(F)F)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H22F7N3O3S2/c1-14(16-6-8-20(19(26)11-16)35-40(2,37)38)22(36)33-12-17-7-9-21(25(30,31)32)34-23(17)39-13-15-4-3-5-18(10-15)24(27,28)29/h3-11,14,35H,12-13H2,1-2H3,(H,33,36)
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| InChIKey |
KMECXDVTQRTBNN-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