General Information of the Compound
| Compound ID |
CP0412233
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| Compound Name |
4-[1-(benzenesulfonyl)-5-(trifluoromethyl)indol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H16F3NO4S
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| Molecular Weight |
411.401
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| Canonical SMILES |
OC(=O)CCCc1cc2cc(ccc2n1S(=O)(=O)c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C19H16F3NO4S/c20-19(21,22)14-9-10-17-13(11-14)12-15(5-4-8-18(24)25)23(17)28(26,27)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8H2,(H,24,25)
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| InChIKey |
ODYYKZDXDKTSNE-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