General Information of the Compound
| Compound ID |
CP0467526
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4062994
Show/Hide
|
||||||||||||||||||
| Formula |
C15H12N4O4
|
||||||||||||||||||
| Molecular Weight |
312.285
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CNC(=O)c1cnn2c(O)cc(nc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H12N4O4/c20-12-6-11(9-4-2-1-3-5-9)18-14-10(7-17-19(12)14)15(23)16-8-13(21)22/h1-7,20H,8H2,(H,16,23)(H,21,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKXZKHWYSVITSF-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 | |||||||||||||||||||
| 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