General Information of the Compound
| Compound ID |
CP0556698
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| Compound Name |
4-bromo-3-(2-carboxyethyl)-6-fluoro-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C12H9BrFNO4
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| Molecular Weight |
330.109
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(F)cc(Br)c12)C(O)=O
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| InChI |
InChI=1S/C12H9BrFNO4/c13-7-3-5(14)4-8-10(7)6(1-2-9(16)17)11(15-8)12(18)19/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
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| InChIKey |
UMRNQJMUIVBBCJ-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