General Information of the Compound
| Compound ID |
CP0451909
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| Compound Name |
4,6-dichloro-3-[(E)-3-(4-methylpentoxy)-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C18H19Cl2NO4
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| Molecular Weight |
384.259
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| Canonical SMILES |
CC(C)CCCOC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
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| InChI |
InChI=1S/C18H19Cl2NO4/c1-10(2)4-3-7-25-15(22)6-5-12-16-13(20)8-11(19)9-14(16)21-17(12)18(23)24/h5-6,8-10,21H,3-4,7H2,1-2H3,(H,23,24)/b6-5+
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| InChIKey |
BIAMWIJIRVZOIU-AATRIKPKSA-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2