General Information of the Compound
| Compound ID |
CP0451776
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-(azetidine-1-carbonyl)-3-(2,6-dichlorophenyl)sulfanylindazol-1-yl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H17Cl2N3O3S
|
||||||||||||||||||
| Molecular Weight |
498.391
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(cc1)-n1nc(Sc2c(Cl)cccc2Cl)c2cc(ccc12)C(=O)N1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H17Cl2N3O3S/c25-18-3-1-4-19(26)21(18)33-22-17-13-15(23(30)28-11-2-12-28)7-10-20(17)29(27-22)16-8-5-14(6-9-16)24(31)32/h1,3-10,13H,2,11-12H2,(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DLYRILOKXPFMBI-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: PT02663, Nuclear receptor ROR-gamma
Protein ID: PT01806, Retinoic acid receptor gamma