General Information of the Compound
| Compound ID |
CP0413982
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| Compound Name |
3-(2-carboxyethyl)-4,6-dimethyl-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C14H15NO4
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| Molecular Weight |
261.277
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| Canonical SMILES |
Cc1cc(C)c2c(CCC(O)=O)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C14H15NO4/c1-7-5-8(2)12-9(3-4-11(16)17)13(14(18)19)15-10(12)6-7/h5-6,15H,3-4H2,1-2H3,(H,16,17)(H,18,19)
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| InChIKey |
LLBKDARECQGKGU-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