General Information of the Compound
| Compound ID |
CP0451497
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409917, 56
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H12ClN3O2
|
||||||||||||||||||
| Molecular Weight |
313.744
|
||||||||||||||||||
| Canonical SMILES |
Clc1c(CNC(=O)C2COc3ncccc23)cccc1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H12ClN3O2/c17-14-10(7-18)3-1-4-11(14)8-20-15(21)13-9-22-16-12(13)5-2-6-19-16/h1-6,13H,8-9H2,(H,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYNOMRVXCUSONF-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