General Information of the Compound
Compound ID |
CP0425543
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
US9163012, 21
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C20H26N2O3
|
||||||||||||||||||
Molecular Weight |
342.439
|
||||||||||||||||||
Canonical SMILES |
OC12CC3CC(C1)C(OC(=O)N1CCC(C1)c1ccncc1)C(C3)C2
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C20H26N2O3/c23-19(22-6-3-15(12-22)14-1-4-21-5-2-14)25-18-16-7-13-8-17(18)11-20(24,9-13)10-16/h1-2,4-5,13,15-18,24H,3,6-12H2
Show/Hide
|
||||||||||||||||||
InChIKey |
PFYSCQZAYJFYPO-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