General Information of the Compound
| Compound ID |
CP0570892
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9458171, 295
Show/Hide
|
||||||||||||||||||
| Formula |
C32H34F7NO6S
|
||||||||||||||||||
| Molecular Weight |
693.678
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)[C@H]1CC[C@@H](CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(OCC1CCC1)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H34F7NO6S/c33-25-12-14-26(15-13-25)47(44,45)29(16-17-40(19-29)27(41)21-4-6-22(7-5-21)28(42)43)23-8-10-24(11-9-23)30(31(34,35)36,32(37,38)39)46-18-20-2-1-3-20/h8-15,20-22H,1-7,16-19H2,(H,42,43)/t21-,22-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SVXCWEQVRYRABX-SYZUXVNWSA-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