General Information of the Compound
| Compound ID |
CP0456063
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[1-(3-carboxypropyl)-7-[2-[4-[4-(3-chloro-2-methylphenyl)butoxy]phenyl]ethynyl]-5-fluoro-2-methylindol-3-yl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H37ClFNO5
|
||||||||||||||||||
| Molecular Weight |
618.145
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(CCCC(O)=O)c2cc(F)cc(C#Cc3ccc(OCCCCc4cccc(Cl)c4C)cc3)c2n1CCCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H37ClFNO5/c1-24-27(9-5-11-33(24)37)8-3-4-21-44-30-18-15-26(16-19-30)14-17-28-22-29(38)23-32-31(10-6-12-34(40)41)25(2)39(36(28)32)20-7-13-35(42)43/h5,9,11,15-16,18-19,22-23H,3-4,6-8,10,12-13,20-21H2,1-2H3,(H,40,41)(H,42,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ADVWQSAFRXRCRX-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