General Information of the Compound
| Compound ID |
CP0425130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 9.7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22ClN3O3
|
||||||||||||||||||
| Molecular Weight |
411.889
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22ClN3O3/c1-13-4-9-18(10-20(13)23)24-22(29)17-7-5-16(6-8-17)12-26-15(3)19(11-21(27)28)14(2)25-26/h4-10H,11-12H2,1-3H3,(H,24,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMZVNKXSMYYMSV-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