General Information of the Compound
| Compound ID |
CP0519624
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9187424, 1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N2O
|
||||||||||||||||||
| Molecular Weight |
296.414
|
||||||||||||||||||
| Canonical SMILES |
CCCCCC1(C)NC(=O)C(C#N)C(=C1)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N2O/c1-4-5-6-11-19(3)12-16(17(13-20)18(22)21-19)15-9-7-14(2)8-10-15/h7-10,12,17H,4-6,11H2,1-3H3,(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
STMFTJJNTRJQHT-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