General Information of the Compound
| Compound ID |
CP0046254
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| Compound Name |
2-(4,6-diphenethoxypyrimidin-2-ylthio)octanoic acid
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| Structure |
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| Formula |
C28H34N2O4S
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| Molecular Weight |
494.657
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| Canonical SMILES |
CCCCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C28H34N2O4S/c1-2-3-4-11-16-24(27(31)32)35-28-29-25(33-19-17-22-12-7-5-8-13-22)21-26(30-28)34-20-18-23-14-9-6-10-15-23/h5-10,12-15,21,24H,2-4,11,16-20H2,1H3,(H,31,32)
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| InChIKey |
CTKVVCDWNBLQHQ-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