General Information of the Compound
| Compound ID |
CP0495977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-2-[2-[4-(2-methylpropyl)pyridin-3-yl]ethynyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18ClNO3
|
||||||||||||||||||
| Molecular Weight |
343.81
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18ClNO3/c1-13(2)9-14-7-8-21-11-16(14)4-3-15-10-17(20)5-6-18(15)24-12-19(22)23/h5-8,10-11,13H,9,12H2,1-2H3,(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXIOUKFUJZNOKF-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