General Information of the Compound
| Compound ID |
CP0478231
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000107619
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H14ClN3O2
|
||||||||||||||||||
| Molecular Weight |
351.793
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(Cn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H14ClN3O2/c20-14-9-7-13(8-10-14)12-23-16-5-2-1-4-15(16)21-19(23)22-18(24)17-6-3-11-25-17/h1-11H,12H2,(H,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UYCKQUDIDRJMIM-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