General Information of the Compound
| Compound ID |
CP0474204
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| Compound Name |
N-[[2-[benzyl(methylsulfonyl)amino]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C25H26F4N4O5S2
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| Molecular Weight |
602.632
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N(Cc1ccccc1)S(C)(=O)=O)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H26F4N4O5S2/c1-16(18-9-11-21(20(26)13-18)32-39(2,35)36)24(34)30-14-19-10-12-22(25(27,28)29)31-23(19)33(40(3,37)38)15-17-7-5-4-6-8-17/h4-13,16,32H,14-15H2,1-3H3,(H,30,34)
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| InChIKey |
NHNPPHOWPDXGTJ-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