General Information of the Compound
| Compound ID |
CP0415027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-Methoxy-7-(2-piperazin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N8O3
|
||||||||||||||||||
| Molecular Weight |
516.606
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCNCC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N8O3/c1-37-24-16-22-23(17-25(24)38-15-14-33-8-6-29-7-9-33)30-19-31-26(22)34-10-12-35(13-11-34)27(36)32-21-4-2-20(18-28)3-5-21/h2-5,16-17,19,29H,6-15H2,1H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYUNZMXVGUBBHP-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