General Information of the Compound
| Compound ID |
CP0196651
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| Compound Name |
3-(2-carboxyethyl)-5-methoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C13H13NO5
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| Molecular Weight |
263.249
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| Canonical SMILES |
COc1ccc2[nH]c(C(O)=O)c(CCC(O)=O)c2c1
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| InChI |
InChI=1S/C13H13NO5/c1-19-7-2-4-10-9(6-7)8(3-5-11(15)16)12(14-10)13(17)18/h2,4,6,14H,3,5H2,1H3,(H,15,16)(H,17,18)
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| InChIKey |
GOWUBWYAUQFOOY-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