General Information of the Compound
| Compound ID |
CP0449641
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[7-(2-Methoxy-ethoxy)-6-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N7O5
|
||||||||||||||||||
| Molecular Weight |
561.643
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N7O5/c1-38-16-17-41-27-19-25-24(18-26(27)40-15-12-34-10-13-39-14-11-34)28(32-21-31-25)35-6-8-36(9-7-35)29(37)33-23-4-2-22(20-30)3-5-23/h2-5,18-19,21H,6-17H2,1H3,(H,33,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWBRXJIAAQIWRN-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