General Information of the Compound
| Compound ID |
CP0528374
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9598415, 11
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28N8O3S
|
||||||||||||||||||
| Molecular Weight |
520.619
|
||||||||||||||||||
| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNc2nc3cnc(nc3n(C(C)C)c2=O)-c2c(C)ncnc2C2CC2)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28N8O3S/c1-5-37(35,36)18-9-8-17(26-11-18)10-27-23-25(34)33(14(2)3)24-19(31-23)12-28-22(32-24)20-15(4)29-13-30-21(20)16-6-7-16/h8-9,11-14,16H,5-7,10H2,1-4H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIGKBDRHXWMIII-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: PT00897, Potassium voltage-gated channel subfamily H member 2