General Information of the Compound
| Compound ID |
CP0368663
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| Compound Name |
1-[4-[diethyl-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]silyl]-2-methylphenoxy]-3,3-dimethylbutan-2-one
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| Structure |
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| Formula |
C27H38O4Si
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| Molecular Weight |
454.683
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| Canonical SMILES |
CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H38O4Si/c1-8-32(9-2,22-10-12-24(19(3)14-22)30-17-21-16-29-21)23-11-13-25(20(4)15-23)31-18-26(28)27(5,6)7/h10-15,21H,8-9,16-18H2,1-7H3
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| InChIKey |
MGVBOKKNQJSBRH-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