General Information of the Compound
| Compound ID |
CP0412234
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| Compound Name |
4-[1-(benzenesulfonyl)-5-methylindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H19NO4S
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| Molecular Weight |
357.431
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| Canonical SMILES |
Cc1ccc2n(c(CCCC(O)=O)cc2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C19H19NO4S/c1-14-10-11-18-15(12-14)13-16(6-5-9-19(21)22)20(18)25(23,24)17-7-3-2-4-8-17/h2-4,7-8,10-13H,5-6,9H2,1H3,(H,21,22)
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| InChIKey |
LHINNMZIQFJVNI-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