General Information of the Compound
| Compound ID |
CP0117622
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9073893, 2
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24N4O2
|
||||||||||||||||||
| Molecular Weight |
328.416
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2[nH]n(C3CCN(CC3)C3CCCC3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24N4O2/c19-17(23)14-6-3-7-15-16(14)18(24)22(20-15)13-8-10-21(11-9-13)12-4-1-2-5-12/h3,6-7,12-13,20H,1-2,4-5,8-11H2,(H2,19,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVJIYLSTZRNOLG-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