General Information of the Compound
| Compound ID |
CP0507535
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| Compound Name |
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-fluorophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
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| Structure |
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| Formula |
C23H24Cl2FN3O4S
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| Molecular Weight |
528.433
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| Canonical SMILES |
CC(C)(c1ccc(OCc2ccnc(NS(C)(=O)=O)n2)cc1)c1cc(F)c(OCCCl)c(Cl)c1
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| InChI |
InChI=1S/C23H24Cl2FN3O4S/c1-23(2,16-12-19(25)21(20(26)13-16)32-11-9-24)15-4-6-18(7-5-15)33-14-17-8-10-27-22(28-17)29-34(3,30)31/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,27,28,29)
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| InChIKey |
CUYNHXWHGKQBFJ-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