General Information of the Compound
| Compound ID |
CP0507077
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-3-[4-(3-methylanilino)quinazolin-6-yl]thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N5S
|
||||||||||||||||||
| Molecular Weight |
399.523
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(Nc2ncnc3ccc(NC(=S)NCc4ccccc4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N5S/c1-16-6-5-9-18(12-16)27-22-20-13-19(10-11-21(20)25-15-26-22)28-23(29)24-14-17-7-3-2-4-8-17/h2-13,15H,14H2,1H3,(H2,24,28,29)(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGXYFFSSAKDCSX-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