General Information of the Compound
| Compound ID |
CP0146439
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| Compound Name |
2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic acid
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| Structure |
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| Formula |
C26H30N2O4S
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| Molecular Weight |
466.603
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| Canonical SMILES |
CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
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| InChI |
InChI=1S/C26H30N2O4S/c1-2-3-14-22(25(29)30)33-26-27-23(31-17-15-20-10-6-4-7-11-20)19-24(28-26)32-18-16-21-12-8-5-9-13-21/h4-13,19,22H,2-3,14-18H2,1H3,(H,29,30)
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| InChIKey |
KYRBYBXVVWQIJQ-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
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma
Protein ID: PT06014, Presenilin-1