General Information of the Compound
| Compound ID |
CP0459348
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| Compound Name |
2-[[6-(benzylamino)-1,3-benzothiazol-2-yl]sulfanyl]octanoic acid
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| Structure |
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| Formula |
C22H26N2O2S2
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| Molecular Weight |
414.596
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| Canonical SMILES |
CCCCCCC(Sc1nc2ccc(NCc3ccccc3)cc2s1)C(O)=O
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| InChI |
InChI=1S/C22H26N2O2S2/c1-2-3-4-8-11-19(21(25)26)27-22-24-18-13-12-17(14-20(18)28-22)23-15-16-9-6-5-7-10-16/h5-7,9-10,12-14,19,23H,2-4,8,11,15H2,1H3,(H,25,26)
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| InChIKey |
IQXYNQBOHVNJHU-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