General Information of the Compound
| Compound ID |
CP0566518
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| Compound Name |
5-chloro-4-[[5-(2-chloro-4-fluorophenyl)-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 |
C21H17Cl2F2N3O3S2
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| Molecular Weight |
532.421
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| Canonical SMILES |
Fc1ccc(C2=CCCNC2COc2cc(F)c(cc2Cl)S(=O)(=O)Nc2cscn2)c(Cl)c1
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| InChI |
InChI=1S/C21H17Cl2F2N3O3S2/c22-15-6-12(24)3-4-13(15)14-2-1-5-26-18(14)9-31-19-8-17(25)20(7-16(19)23)33(29,30)28-21-10-32-11-27-21/h2-4,6-8,10-11,18,26,28H,1,5,9H2
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| InChIKey |
DCCIZQICJAWQEN-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