General Information of the Compound
| Compound ID |
CP0547526
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| Compound Name |
N-[[2-[(E)-3,3-dimethylbut-1-enyl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C23H27F4N3O3S
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| Molecular Weight |
501.546
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1\C=C\C(C)(C)C)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C23H27F4N3O3S/c1-14(15-6-8-19(17(24)12-15)30-34(5,32)33)21(31)28-13-16-7-9-20(23(25,26)27)29-18(16)10-11-22(2,3)4/h6-12,14,30H,13H2,1-5H3,(H,28,31)/b11-10+
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| InChIKey |
PGTODQABOSQSPZ-ZHACJKMWSA-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