General Information of the Compound
| Compound ID |
CP0881762
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| Compound Name |
3-(2-Carboxyethyl)-4,6-dimethoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C14H15NO6
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| Molecular Weight |
293.275
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| Canonical SMILES |
COc1cc(OC)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1
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| InChI |
InChI=1S/C14H15NO6/c1-20-7-5-9-12(10(6-7)21-2)8(3-4-11(16)17)13(15-9)14(18)19/h5-6,15H,3-4H2,1-2H3,(H,16,17)(H,18,19)
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| InChIKey |
QDERWHPWSJPPPZ-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