General Information of the Compound
| Compound ID |
CP0382291
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| Compound Name |
5-[3-(3-carboxypropyl)-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 |
C37H40ClNO5
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| Molecular Weight |
614.182
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| Canonical SMILES |
Cc1c(CCCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCCC(O)=O
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| InChI |
InChI=1S/C37H40ClNO5/c1-26-29(11-8-15-34(26)38)10-4-6-25-44-31-22-19-28(20-23-31)18-21-30-12-7-14-33-32(13-9-17-36(42)43)27(2)39(37(30)33)24-5-3-16-35(40)41/h7-8,11-12,14-15,19-20,22-23H,3-6,9-10,13,16-17,24-25H2,1-2H3,(H,40,41)(H,42,43)
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| InChIKey |
RTFGIFVDEZMXFW-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