General Information of the Compound
| Compound ID |
CP0565443
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| Compound Name |
N-[4-[[4-[2-[3-chloro-4-(2-chloroethoxy)-5-cyanophenyl]propan-2-yl]phenoxy]methyl]-5-methylpyrimidin-2-yl]methanesulfonamide
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| Structure |
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| Formula |
C25H26Cl2N4O4S
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| Molecular Weight |
549.48
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| Canonical SMILES |
Cc1cnc(NS(C)(=O)=O)nc1COc1ccc(cc1)C(C)(C)c1cc(Cl)c(OCCCl)c(c1)C#N
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| InChI |
InChI=1S/C25H26Cl2N4O4S/c1-16-14-29-24(31-36(4,32)33)30-22(16)15-35-20-7-5-18(6-8-20)25(2,3)19-11-17(13-28)23(21(27)12-19)34-10-9-26/h5-8,11-12,14H,9-10,15H2,1-4H3,(H,29,30,31)
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| InChIKey |
RHMINSZZIGELKG-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