General Information of the Compound
| Compound ID |
CP0533704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-(carboxymethyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-1-yl]pentanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H36ClNO5
|
||||||||||||||||||
| Molecular Weight |
586.128
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H36ClNO5/c1-24-27(10-8-13-32(24)36)9-4-6-22-42-29-19-16-26(17-20-29)15-18-28-11-7-12-30-31(23-34(40)41)25(2)37(35(28)30)21-5-3-14-33(38)39/h7-8,10-13,16-17,19-20H,3-6,9,14,21-23H2,1-2H3,(H,38,39)(H,40,41)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKHWMPGXVSFESM-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2