General Information of the Compound
| Compound ID |
CP0393876
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| Compound Name |
3-(2-carboxyethyl)-4,6-difluoro-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C12H9F2NO4
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| Molecular Weight |
269.203
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| Canonical SMILES |
OC(=O)CCc1c([nH]c2cc(F)cc(F)c12)C(O)=O
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| InChI |
InChI=1S/C12H9F2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)
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| InChIKey |
JJZHXQCENKNTDW-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
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor