General Information of the Compound
| Compound ID |
CP0218446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3,3-difluorocyclobutyl)methyl]-N-(2-hydroxy-2-methylpropyl)-5-[4-[[(2S)-1,1,1-trifluoropropan-2-yl]sulfamoyl]naphthalen-1-yl]-1,3-thiazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28F5N3O4S2
|
||||||||||||||||||
| Molecular Weight |
605.651
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)C(=O)NCC(C)(C)O)c2ccccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28F5N3O4S2/c1-14(26(29,30)31)34-40(37,38)20-9-8-18(16-6-4-5-7-17(16)20)21-19(10-15-11-25(27,28)12-15)33-23(39-21)22(35)32-13-24(2,3)36/h4-9,14-15,34,36H,10-13H2,1-3H3,(H,32,35)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HCTASJAOJYRGPC-AWEZNQCLSA-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma