General Information of the Compound
| Compound ID |
CP0459343
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| Compound Name |
2-[[6-[(4-tert-butylphenyl)methylamino]-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
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| Structure |
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| Formula |
C26H34N2O2S2
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| Molecular Weight |
470.704
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| Canonical SMILES |
CCCCCCC(Sc1nc2ccc(NCc3ccc(cc3)C(C)(C)C)cc2s1)C(O)=O
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| InChI |
InChI=1S/C26H34N2O2S2/c1-5-6-7-8-9-22(24(29)30)31-25-28-21-15-14-20(16-23(21)32-25)27-17-18-10-12-19(13-11-18)26(2,3)4/h10-16,22,27H,5-9,17H2,1-4H3,(H,29,30)
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| InChIKey |
VTZHZKSKRGBCPN-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: PT00915, Peroxisome proliferator-activated receptor gamma