General Information of the Compound
| Compound ID |
CP0518180
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 146
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N5O3
|
||||||||||||||||||
| Molecular Weight |
341.371
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2ncccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N5O3/c23-16-11-15(21-6-8-25-9-7-21)19-14(20-16)10-17(24)22-5-3-12-13(22)2-1-4-18-12/h1-2,4,11H,3,5-10H2,(H,19,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NCFVSAPWWCEXTQ-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