General Information of the Compound
| Compound ID |
CP0082875
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| Compound Name |
4-[[(1R)-2-(3,5-difluoro-4-trimethylsilylanilino)-1-(4-methoxyphenyl)-2-oxoethyl]-methylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C23H28F2N2O5Si
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| Molecular Weight |
478.568
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| Canonical SMILES |
COc1ccc(cc1)[C@@H](N(C)C(=O)CCC(O)=O)C(=O)Nc1cc(F)c(c(F)c1)[Si](C)(C)C
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| InChI |
InChI=1S/C23H28F2N2O5Si/c1-27(19(28)10-11-20(29)30)21(14-6-8-16(32-2)9-7-14)23(31)26-15-12-17(24)22(18(25)13-15)33(3,4)5/h6-9,12-13,21H,10-11H2,1-5H3,(H,26,31)(H,29,30)/t21-/m1/s1
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| InChIKey |
IMCKLZUIKDKRAW-OAQYLSRUSA-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