General Information of the Compound
| Compound ID |
CP0538956
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| Compound Name |
4,6-dichloro-3-[(E)-3-oxo-3-(2-phenylethoxy)prop-1-enyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C20H15Cl2NO4
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| Molecular Weight |
404.249
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCCc1ccccc1
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| InChI |
InChI=1S/C20H15Cl2NO4/c21-13-10-15(22)18-14(19(20(25)26)23-16(18)11-13)6-7-17(24)27-9-8-12-4-2-1-3-5-12/h1-7,10-11,23H,8-9H2,(H,25,26)/b7-6+
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| InChIKey |
GYBFHDOZJXQFNK-VOTSOKGWSA-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