General Information of the Compound
| Compound ID |
CP0099539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11426393, Compound Table XV.17
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H14ClN3O3
|
||||||||||||||||||
| Molecular Weight |
319.748
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H14ClN3O3/c1-17-13(21)8-19-15(22)14-12(20)6-10(7-18-14)9-3-2-4-11(16)5-9/h2-7,20H,8H2,1H3,(H,17,21)(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FLEKXPKWSFKURA-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