General Information of the Compound
| Compound ID |
CP0531079
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[1-(2-carboxyethyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-2-methylindol-3-yl]propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H34ClNO5
|
||||||||||||||||||
| Molecular Weight |
572.101
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CCC(O)=O)c2cccc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H34ClNO5/c1-23-26(8-6-11-31(23)35)7-3-4-22-41-28-16-13-25(14-17-28)12-15-27-9-5-10-30-29(18-19-32(37)38)24(2)36(34(27)30)21-20-33(39)40/h5-6,8-11,13-14,16-17H,3-4,7,18-22H2,1-2H3,(H,37,38)(H,39,40)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YNAKCKVBIRBVSO-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