General Information of the Compound
| Compound ID |
CP0393893
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| Compound Name |
3-(2-carboxyethyl)-6-hexoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C18H23NO5
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| Molecular Weight |
333.384
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| Canonical SMILES |
CCCCCCOc1ccc2c(CCC(O)=O)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C18H23NO5/c1-2-3-4-5-10-24-12-6-7-13-14(8-9-16(20)21)17(18(22)23)19-15(13)11-12/h6-7,11,19H,2-5,8-10H2,1H3,(H,20,21)(H,22,23)
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| InChIKey |
LTXBACRGTNTVAA-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: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor
Protein ID: PT06522, Uracil nucleotide/cysteinyl leukotriene receptor