General Information of the Compound
| Compound ID |
CP0391190
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-[(4-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C25H25F4N3O3S2
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| Molecular Weight |
555.619
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1SCc1ccc(C)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H25F4N3O3S2/c1-15-4-6-17(7-5-15)14-36-24-19(9-11-22(31-24)25(27,28)29)13-30-23(33)16(2)18-8-10-21(20(26)12-18)32-37(3,34)35/h4-12,16,32H,13-14H2,1-3H3,(H,30,33)
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| InChIKey |
XWUWTUFRVZQVGH-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