General Information of the Compound
| Compound ID |
CP0520769
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| Compound Name |
3-(2-carboxyethyl)-4,5,7-trichloro-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C12H8Cl3NO4
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| Molecular Weight |
336.558
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2c(Cl)cc(Cl)c(Cl)c12)C(O)=O
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| InChI |
InChI=1S/C12H8Cl3NO4/c13-5-3-6(14)11-8(9(5)15)4(1-2-7(17)18)10(16-11)12(19)20/h3,16H,1-2H2,(H,17,18)(H,19,20)
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| InChIKey |
KRHKTSQLQLRHIE-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