General Information of the Compound
| Compound ID |
CP0490045
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9458171, 417
Show/Hide
|
||||||||||||||||||
| Formula |
C28H28F7NO5S
|
||||||||||||||||||
| Molecular Weight |
623.587
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)[C@]1(CCN(C1)C(=O)[C@H]1CC[C@@H](CC1)C(O)=O)c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H28F7NO5S/c1-17-2-12-22(13-3-17)42(40,41)25(14-15-36(16-25)23(37)18-4-6-19(7-5-18)24(38)39)20-8-10-21(11-9-20)26(29,27(30,31)32)28(33,34)35/h2-3,8-13,18-19H,4-7,14-16H2,1H3,(H,38,39)/t18-,19-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSNZDXCQJULFRM-MHPIHPPYSA-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 | |||||||||||||||||||
| 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: PT01552, Nuclear receptor subfamily 1 group I member 2
Protein ID: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta