General Information of the Compound
| Compound ID |
CP0380377
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| Compound Name |
4,6-dichloro-3-[(E)-3-oxo-3-(4-phenylbutoxy)prop-1-enyl]-1H-indole-2-carboxylic acid
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| Structure |
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| Formula |
C22H19Cl2NO4
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| Molecular Weight |
432.303
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| Canonical SMILES |
OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCCCCc1ccccc1
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| InChI |
InChI=1S/C22H19Cl2NO4/c23-15-12-17(24)20-16(21(22(27)28)25-18(20)13-15)9-10-19(26)29-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13,25H,4-5,8,11H2,(H,27,28)/b10-9+
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| InChIKey |
VGWGLUANXTUFPH-MDZDMXLPSA-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