General Information of the Compound
| Compound ID |
CP0458506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-chloro-1-[(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]indol-2-yl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
448.928
|
||||||||||||||||||
| Canonical SMILES |
CN1CCOc2ccc(cc12)S(=O)(=O)n1c(CCCC(O)=O)cc2cc(Cl)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21ClN2O5S/c1-23-9-10-29-20-8-6-17(13-19(20)23)30(27,28)24-16(3-2-4-21(25)26)12-14-11-15(22)5-7-18(14)24/h5-8,11-13H,2-4,9-10H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QUNCJBGXLCSCJY-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma