General Information of the Compound
| Compound ID |
CP0126578
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| Compound Name |
3-(2-Carboxy-ethyl)-5-chloro-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C12H10ClNO4
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| Molecular Weight |
267.668
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2ccc(Cl)cc12)C(O)=O
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| InChI |
InChI=1S/C12H10ClNO4/c13-6-1-3-9-8(5-6)7(2-4-10(15)16)11(14-9)12(17)18/h1,3,5,14H,2,4H2,(H,15,16)(H,17,18)
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| InChIKey |
NUWJPVLEOLACPU-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