General Information of the Compound
| Compound ID |
CP0479763
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| Compound Name |
4-[1-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]-5-chloroindol-2-yl]butanoic acid
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| Structure |
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| Formula |
C19H16ClN3O4S2
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| Molecular Weight |
449.941
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| Canonical SMILES |
Nc1nc2ccc(cc2s1)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C19H16ClN3O4S2/c20-12-4-7-16-11(8-12)9-13(2-1-3-18(24)25)23(16)29(26,27)14-5-6-15-17(10-14)28-19(21)22-15/h4-10H,1-3H2,(H2,21,22)(H,24,25)
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| InChIKey |
QSZIECXNQDNMNC-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