General Information of the Compound
| Compound ID |
CP0507076
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-[4-(trifluoromethyl)phenyl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H15BrF3N5S
|
||||||||||||||||||
| Molecular Weight |
518.362
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(NC(=S)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H15BrF3N5S/c23-14-2-1-3-16(10-14)29-20-18-11-17(8-9-19(18)27-12-28-20)31-21(32)30-15-6-4-13(5-7-15)22(24,25)26/h1-12H,(H,27,28,29)(H2,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RZXGRQBHLZOKNE-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