General Information of the Compound
| Compound ID |
CP0395756
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-{[(5-chloro-1-benzothien-3-yl)methyl]oxy}- N-(3,4-dichlorophenyl)-6- (methyloxy)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H16Cl3N3O2S
|
||||||||||||||||||
| Molecular Weight |
516.837
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H16Cl3N3O2S/c1-31-21-8-17-20(28-12-29-24(17)30-15-3-4-18(26)19(27)7-15)9-22(21)32-10-13-11-33-23-5-2-14(25)6-16(13)23/h2-9,11-12H,10H2,1H3,(H,28,29,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QQGZOWNAHJAXCG-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