General Information of the Compound
| Compound ID |
CP0093184
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| Compound Name |
2-(4,6-Bis(2-cyclopentylethoxy)pyrimidin-2-ylthio)hexanoic acid
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| Structure |
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| Formula |
C24H38N2O4S
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| Molecular Weight |
450.645
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| Canonical SMILES |
CCCCC(Sc1nc(OCCC2CCCC2)cc(OCCC2CCCC2)n1)C(O)=O
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| InChI |
InChI=1S/C24H38N2O4S/c1-2-3-12-20(23(27)28)31-24-25-21(29-15-13-18-8-4-5-9-18)17-22(26-24)30-16-14-19-10-6-7-11-19/h17-20H,2-16H2,1H3,(H,27,28)
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| InChIKey |
ITLSBXVSQMLKTA-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