General Information of the Compound
| Compound ID |
CP0412869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(3-bromoanilino)quinazolin-6-yl]-3-phenylthiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16BrN5S
|
||||||||||||||||||
| Molecular Weight |
450.365
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=S)Nc4ccccc4)cc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16BrN5S/c22-14-5-4-8-16(11-14)25-20-18-12-17(9-10-19(18)23-13-24-20)27-21(28)26-15-6-2-1-3-7-15/h1-13H,(H,23,24,25)(H2,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRDCQHMUNAXNJF-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