General Information of the Compound
| Compound ID |
CP0372689
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[6-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19FN2O4S
|
||||||||||||||||||
| Molecular Weight |
402.447
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cn1c2CCCCc2c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19FN2O4S/c21-13-5-8-15(9-6-13)28(26,27)22-14-7-10-19-17(11-14)16-3-1-2-4-18(16)23(19)12-20(24)25/h5-11,22H,1-4,12H2,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXBMBEUWOITCSP-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: PT01171, Prostaglandin D2 receptor 2
Protein ID: PT01819, Thromboxane A2 receptor