General Information of the Compound
| Compound ID |
CP0419339
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216182, 1.85
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H28N4O2S
|
||||||||||||||||||
| Molecular Weight |
352.504
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1CCN(CC1)C(=O)OC1CCN(CC1)c1nc(C)cs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H28N4O2S/c1-13(2)19-8-10-21(11-9-19)17(22)23-15-4-6-20(7-5-15)16-18-14(3)12-24-16/h12-13,15H,4-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXHIJVMVCVSYRS-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