General Information of the Compound
| Compound ID |
CP0546803
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| Compound Name |
N-[5-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]methanesulfonamide
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| Structure |
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| Formula |
C24H24Cl2N4O4S
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| Molecular Weight |
535.453
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| Canonical SMILES |
CC(C)(c1ccc(OCc2cnc(NS(C)(=O)=O)nc2)cc1)c1cc(Cl)c(OCCCl)c(c1)C#N
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| InChI |
InChI=1S/C24H24Cl2N4O4S/c1-24(2,19-10-17(12-27)22(21(26)11-19)33-9-8-25)18-4-6-20(7-5-18)34-15-16-13-28-23(29-14-16)30-35(3,31)32/h4-7,10-11,13-14H,8-9,15H2,1-3H3,(H,28,29,30)
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| InChIKey |
TWBJSEFNNSAKJA-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