General Information of the Compound
| Compound ID |
CP0498451
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(6,7-Dimethoxy-4-oxo-2-phenylamino-4H-quinazolin-3-yl)-butyric acid ethyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N3O5
|
||||||||||||||||||
| Molecular Weight |
411.458
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)CCCn1c(Nc2ccccc2)nc2cc(OC)c(OC)cc2c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N3O5/c1-4-30-20(26)11-8-12-25-21(27)16-13-18(28-2)19(29-3)14-17(16)24-22(25)23-15-9-6-5-7-10-15/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOJUCGFIYRIVAM-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