General Information of the Compound
| Compound ID |
CP0016366
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-yloxy)phenyl)benzo[d]thiazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N4O3S
|
||||||||||||||||||
| Molecular Weight |
512.635
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N4O3S/c1-34-25-17-22-24(18-26(25)35-16-6-15-33-13-4-5-14-33)30-19-31-28(22)36-21-11-9-20(10-12-21)29-32-23-7-2-3-8-27(23)37-29/h2-3,7-12,17-19H,4-6,13-16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIJIMHMKDXTURQ-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
Protein ID: PT00883, Angiopoietin-1 receptor
Protein ID: PT01223, Aurora kinase B
Protein ID: PT00844, Platelet-derived growth factor receptor beta
Protein ID: PT00925, Vascular endothelial growth factor receptor 3