General Information of the Compound
| Compound ID |
CP0727871
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-chlorobenzo[d][1,3]dioxol-4-yl)-7-(2-(pyridin-4-yl)ethoxy)-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25ClN4O5
|
||||||||||||||||||
| Molecular Weight |
520.973
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(c1Nc1ncnc3cc(OCCc4ccncc4)cc(OC4CCOCC4)c13)OCO2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25ClN4O5/c28-20-1-2-22-26(36-16-35-22)25(20)32-27-24-21(30-15-31-27)13-19(34-12-5-17-3-8-29-9-4-17)14-23(24)37-18-6-10-33-11-7-18/h1-4,8-9,13-15,18H,5-7,10-12,16H2,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FIKSNQFEVFIAAC-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