General Information of the Compound
| Compound ID |
CP0479999
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[6-Methoxy-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31N5O5
|
||||||||||||||||||
| Molecular Weight |
529.597
|
||||||||||||||||||
| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31N5O5/c1-36-16-17-38-27-19-25-24(18-26(27)37-2)28(31-20-30-25)33-12-14-34(15-13-33)29(35)32-21-8-10-23(11-9-21)39-22-6-4-3-5-7-22/h3-11,18-20H,12-17H2,1-2H3,(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMKMUVLPGIGOSF-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