General Information of the Compound
| Compound ID |
CP0495963
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(4-tert-butylphenyl)-2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,3-c]quinolin-5-yl)phenyl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26ClN3O3
|
||||||||||||||||||
| Molecular Weight |
499.998
|
||||||||||||||||||
| Canonical SMILES |
Cc1onc2c1c(=O)n(-c1cccc(CC(=O)Nc3ccc(cc3)C(C)(C)C)c1)c1cccc(Cl)c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26ClN3O3/c1-17-25-27(32-36-17)26-22(30)9-6-10-23(26)33(28(25)35)21-8-5-7-18(15-21)16-24(34)31-20-13-11-19(12-14-20)29(2,3)4/h5-15H,16H2,1-4H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZPJTQBHRQGIDR-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