General Information of the Compound
| Compound ID |
CP0380726
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[7-(2-Imidazol-1-yl-ethoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N8O3
|
||||||||||||||||||
| Molecular Weight |
498.547
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCn1ccnc1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N8O3/c1-36-23-14-21-22(15-24(23)37-13-12-32-7-6-28-18-32)29-17-30-25(21)33-8-10-34(11-9-33)26(35)31-20-4-2-19(16-27)3-5-20/h2-7,14-15,17-18H,8-13H2,1H3,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXNUWKALOKMIDN-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