General Information of the Compound
| Compound ID |
CP0372522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-chloro-2-[2-[4-(diethylcarbamoyl)-3-propan-2-ylsulfonylphenyl]ethynyl]phenoxy]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26ClNO6S
|
||||||||||||||||||
| Molecular Weight |
491.993
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)c1ccc(cc1S(=O)(=O)C(C)C)C#Cc1cc(Cl)ccc1OCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26ClNO6S/c1-5-26(6-2)24(29)20-11-8-17(13-22(20)33(30,31)16(3)4)7-9-18-14-19(25)10-12-21(18)32-15-23(27)28/h8,10-14,16H,5-6,15H2,1-4H3,(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CDYCFVLXRZCAIH-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