General Information of the Compound
| Compound ID |
CP0438501
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| Compound Name |
2-[[6-[(4-tert-butylbenzoyl)amino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
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| Structure |
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| Formula |
C26H32N2O3S2
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| Molecular Weight |
484.687
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| Canonical SMILES |
CCCCCCC(Sc1nc2ccc(NC(=O)c3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O
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| InChI |
InChI=1S/C26H32N2O3S2/c1-5-6-7-8-9-21(24(30)31)32-25-28-20-15-14-19(16-22(20)33-25)27-23(29)17-10-12-18(13-11-17)26(2,3)4/h10-16,21H,5-9H2,1-4H3,(H,27,29)(H,30,31)
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| InChIKey |
WXLBCSJFFSKTIG-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma