General Information of the Compound
| Compound ID |
CP0911710
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-Bromo-phenylamino)-quinazolin-6-yl]-2-but-3-enyldisulfanyl-acetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C20H19BrN4OS2
|
||||||||||||||||||
| Molecular Weight |
475.437
|
||||||||||||||||||
| Canonical SMILES |
C=CCCSSCC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19BrN4OS2/c1-2-3-9-27-28-12-19(26)24-16-7-8-18-17(11-16)20(23-13-22-18)25-15-6-4-5-14(21)10-15/h2,4-8,10-11,13H,1,3,9,12H2,(H,24,26)(H,22,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KDXDNOTVLLGLDZ-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
Protein ID: PT01605, Epidermal growth factor receptor