General Information of the Compound
| Compound ID |
CP0558602
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-3-[4-(4-hydroxyanilino)quinazolin-6-yl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19N5OS
|
||||||||||||||||||
| Molecular Weight |
401.495
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19N5OS/c28-18-9-6-16(7-10-18)26-21-19-12-17(8-11-20(19)24-14-25-21)27-22(29)23-13-15-4-2-1-3-5-15/h1-12,14,28H,13H2,(H2,23,27,29)(H,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YLPUENLJHNGVLQ-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