General Information of the Compound
| Compound ID |
CP0470640
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| Compound Name |
3-(2-carboxyethyl)-4,6-dichloro-1-methylindole-2-carboxylic acid
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| Structure |
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| Formula |
C13H11Cl2NO4
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| Molecular Weight |
316.14
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| Canonical SMILES |
Cn1c(C(O)=O)c(CCC(O)=O)c2c(Cl)cc(Cl)cc12
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| InChI |
InChI=1S/C13H11Cl2NO4/c1-16-9-5-6(14)4-8(15)11(9)7(2-3-10(17)18)12(16)13(19)20/h4-5H,2-3H2,1H3,(H,17,18)(H,19,20)
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| InChIKey |
OOTJQOAGEIGDHL-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