General Information of the Compound
| Compound ID |
CP0559185
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| Compound Name |
5-chloro-4-[[5-(3,6-dihydro-2H-pyran-4-yl)-1,2,3,6-tetrahydropyridin-6-yl]methoxy]-2-fluoro-N-(1,3-thiazol-4-yl)benzenesulfonamide
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| Structure |
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| Formula |
C20H21ClFN3O4S2
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| Molecular Weight |
485.99
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| Canonical SMILES |
Fc1cc(OCC2NCCC=C2C2=CCOCC2)c(Cl)cc1S(=O)(=O)Nc1cscn1
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| InChI |
InChI=1S/C20H21ClFN3O4S2/c21-15-8-19(31(26,27)25-20-11-30-12-24-20)16(22)9-18(15)29-10-17-14(2-1-5-23-17)13-3-6-28-7-4-13/h2-3,8-9,11-12,17,23,25H,1,4-7,10H2
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| InChIKey |
NAIKLCPWGSZUAU-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