General Information of the Compound
| Compound ID |
CP0517250
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| Compound Name |
methyl 3-[3-[[2-[3-fluoro-4-(methanesulfonamido)phenyl]propanoylamino]methyl]-6-(trifluoromethyl)pyridin-2-yl]sulfanylpropanoate
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| Structure |
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| Formula |
C21H23F4N3O5S2
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| Molecular Weight |
537.557
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| Canonical SMILES |
COC(=O)CCSc1nc(ccc1CNC(=O)C(C)c1ccc(NS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C21H23F4N3O5S2/c1-12(13-4-6-16(15(22)10-13)28-35(3,31)32)19(30)26-11-14-5-7-17(21(23,24)25)27-20(14)34-9-8-18(29)33-2/h4-7,10,12,28H,8-9,11H2,1-3H3,(H,26,30)
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| InChIKey |
OCBMMARXKZJQOI-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