General Information of the Compound
| Compound ID |
CP0114877
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10301272, Example 8/4
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N4O4S2
|
||||||||||||||||||
| Molecular Weight |
566.749
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(O)CNC(=O)c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC1(CC1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N4O4S2/c1-28(2,35)18-31-26(34)27-32-23(16-19-8-4-3-5-9-19)25(38-27)22-12-13-24(21-11-7-6-10-20(21)22)39(36,37)33-29(17-30)14-15-29/h6-7,10-13,19,33,35H,3-5,8-9,14-16,18H2,1-2H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ULYHXRTUZSKYEU-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: PT03033, Nuclear receptor ROR-beta
Protein ID: PT02663, Nuclear receptor ROR-gamma