General Information of the Compound
| Compound ID |
CP0448958
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| Compound Name |
5-[3-(2-carboxyethyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-1-yl]pentanoic acid
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| Structure |
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| Formula |
C36H38ClNO5
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| Molecular Weight |
600.155
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| Canonical SMILES |
Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCCC(O)=O
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| InChI |
InChI=1S/C36H38ClNO5/c1-25-28(10-8-13-33(25)37)9-4-6-24-43-30-19-16-27(17-20-30)15-18-29-11-7-12-32-31(21-22-35(41)42)26(2)38(36(29)32)23-5-3-14-34(39)40/h7-8,10-13,16-17,19-20H,3-6,9,14,21-24H2,1-2H3,(H,39,40)(H,41,42)
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| InChIKey |
BFFACUFNGPXFFL-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2