General Information of the Compound
| Compound ID |
CP0542846
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206198, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30N2O6
|
||||||||||||||||||
| Molecular Weight |
454.523
|
||||||||||||||||||
| Canonical SMILES |
CC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=C(C)C(=O)OC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30N2O6/c1-14-10-25(24(31)27(14)20-13-33-22(29)16(20)3)6-8-26(9-7-25)11-21(28)17-4-5-18-19(15(17)2)12-32-23(18)30/h4-5,14,21,28H,6-13H2,1-3H3/t14?,21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GZQBZFYKKVFELZ-YNNZGITBSA-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: PT03667, ATP-sensitive inward rectifier potassium channel 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2