General Information of the Compound
| Compound ID |
CP0566517
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| Compound Name |
5-chloro-2-fluoro-4-[(5-phenyl-1,2,3,6-tetrahydropyridin-6-yl)methoxy]-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H19ClFN3O3S2
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| Molecular Weight |
479.986
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| Canonical SMILES |
Fc1cc(OCC2NCCC=C2c2ccccc2)c(Cl)cc1S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C21H19ClFN3O3S2/c22-16-9-20(31(27,28)26-21-12-30-13-25-21)17(23)10-19(16)29-11-18-15(7-4-8-24-18)14-5-2-1-3-6-14/h1-3,5-7,9-10,12-13,18,24,26H,4,8,11H2
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| InChIKey |
ZMIJNJJKXQBRGJ-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