General Information of the Compound
| Compound ID |
CP0441320
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| Compound Name |
N-[(4-tert-butyl-2-cyanophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C22H26FN3O3S
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| Molecular Weight |
431.533
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1C#N)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H26FN3O3S/c1-14(15-7-9-20(19(23)11-15)26-30(5,28)29)21(27)25-13-16-6-8-18(22(2,3)4)10-17(16)12-24/h6-11,14,26H,13H2,1-5H3,(H,25,27)
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| InChIKey |
IVZCTPOSLHYVDI-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