General Information of the Compound
| Compound ID |
CP0404144
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| Compound Name |
2-(cyclohexanecarbonylamino)-N-[3-(trifluoromethylsulfanyl)phenyl]benzamide
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| Structure |
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| Formula |
C21H21F3N2O2S
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| Molecular Weight |
422.472
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| Canonical SMILES |
FC(F)(F)Sc1cccc(NC(=O)c2ccccc2NC(=O)C2CCCCC2)c1
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| InChI |
InChI=1S/C21H21F3N2O2S/c22-21(23,24)29-16-10-6-9-15(13-16)25-20(28)17-11-4-5-12-18(17)26-19(27)14-7-2-1-3-8-14/h4-6,9-14H,1-3,7-8H2,(H,25,28)(H,26,27)
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| InChIKey |
ZGULDRFPHZVIGF-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