General Information of the Compound
| Compound ID |
CP0408236
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| Compound Name |
4-[1-(carboxymethyl)-7-[(E)-2-[4-[4-(3-fluoro-2-methylphenyl)butoxy]phenyl]ethenyl]-2-methylindol-3-yl]butanoic acid
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| Structure |
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| Formula |
C34H36FNO5
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| Molecular Weight |
557.662
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| Canonical SMILES |
Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4cccc(F)c4C)cc3)c2n1CC(O)=O
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| InChI |
InChI=1S/C34H36FNO5/c1-23-26(9-6-13-31(23)35)8-3-4-21-41-28-19-16-25(17-20-28)15-18-27-10-5-12-30-29(11-7-14-32(37)38)24(2)36(34(27)30)22-33(39)40/h5-6,9-10,12-13,15-20H,3-4,7-8,11,14,21-22H2,1-2H3,(H,37,38)(H,39,40)/b18-15+
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| InChIKey |
DTNSCIGPDCWJEP-OBGWFSINSA-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