General Information of the Compound
| Compound ID |
CP0535790
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| Compound Name |
2,5-difluoro-4-[[5-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H17F3N4O3S2
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| Molecular Weight |
482.509
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| Canonical SMILES |
Fc1ccc(cc1)C1=CCCNC1COc1cc(F)c(cc1F)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C20H17F3N4O3S2/c21-13-5-3-12(4-6-13)14-2-1-7-24-17(14)10-30-18-8-16(23)19(9-15(18)22)32(28,29)27-20-25-11-26-31-20/h2-6,8-9,11,17,24H,1,7,10H2,(H,25,26,27)
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| InChIKey |
GGUYVLPDONUBRM-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