General Information of the Compound
| Compound ID |
CP0405488
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| Compound Name |
3-(2-carboxyethyl)-4-chloro-6-hexoxy-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C18H22ClNO5
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| Molecular Weight |
367.829
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| Canonical SMILES |
CCCCCCOc1cc(Cl)c2c(CCC(O)=O)c([nH]c2c1)C(O)=O
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| InChI |
InChI=1S/C18H22ClNO5/c1-2-3-4-5-8-25-11-9-13(19)16-12(6-7-15(21)22)17(18(23)24)20-14(16)10-11/h9-10,20H,2-8H2,1H3,(H,21,22)(H,23,24)
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| InChIKey |
ZFPCHYJCZVFAIV-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: PT04714, P2Y purinoceptor 2
Protein ID: PT05061, Uracil nucleotide/cysteinyl leukotriene receptor
Protein ID: PT06522, Uracil nucleotide/cysteinyl leukotriene receptor
Protein ID: PT06646, Uracil nucleotide/cysteinyl leukotriene receptor