General Information of the Compound
| Compound ID |
CP0486473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-bromoanilino)-6-methoxyquinazolin-7-yl]oxypropyl 3-(prop-2-enyldisulfanyl)propanoate
Show/Hide
|
||||||||||||||||||
| Formula |
C24H26BrN3O4S2
|
||||||||||||||||||
| Molecular Weight |
564.527
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCCOC(=O)CCSSCC=C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26BrN3O4S2/c1-3-11-33-34-12-8-23(29)32-10-5-9-31-22-15-20-19(14-21(22)30-2)24(27-16-26-20)28-18-7-4-6-17(25)13-18/h3-4,6-7,13-16H,1,5,8-12H2,2H3,(H,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WISOXVRWVHHVTF-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 | |||||||||||||||||||
| 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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01605, Epidermal growth factor receptor