General Information of the Compound
| Compound ID |
CP0425126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 7.13
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22ClN3O3
|
||||||||||||||||||
| Molecular Weight |
447.922
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22ClN3O3/c1-15-22(13-24(30)31)16(2)29(28-15)14-20-9-10-21(12-23(20)26)27-25(32)19-8-7-17-5-3-4-6-18(17)11-19/h3-12H,13-14H2,1-2H3,(H,27,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HPUJGWDVCPVRSC-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