General Information of the Compound
| Compound ID |
CP0506594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4-[(2,4-dichlorophenyl)sulfonylamino]-2-propyl-1H-indol-5-yl]oxy]-3-methoxyphenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24Cl2N2O6S
|
||||||||||||||||||
| Molecular Weight |
563.459
|
||||||||||||||||||
| Canonical SMILES |
CCCc1cc2c(NS(=O)(=O)c3ccc(Cl)cc3Cl)c(Oc3ccc(CC(O)=O)cc3OC)ccc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24Cl2N2O6S/c1-3-4-17-14-18-20(29-17)7-9-22(36-21-8-5-15(12-25(31)32)11-23(21)35-2)26(18)30-37(33,34)24-10-6-16(27)13-19(24)28/h5-11,13-14,29-30H,3-4,12H2,1-2H3,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KUEQWQLAGLHEAJ-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: PT01054, Prostaglandin D2 receptor
Protein ID: PT01171, Prostaglandin D2 receptor 2