General Information of the Compound
| Compound ID |
CP0412236
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| Compound Name |
4-[1-(1,3-benzodioxol-5-ylsulfonyl)-5-chloroindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H16ClNO6S
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| Molecular Weight |
421.858
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| Canonical SMILES |
OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H16ClNO6S/c20-13-4-6-16-12(8-13)9-14(2-1-3-19(22)23)21(16)28(24,25)15-5-7-17-18(10-15)27-11-26-17/h4-10H,1-3,11H2,(H,22,23)
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| InChIKey |
NQTSCOAKLNPSFQ-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