General Information of the Compound
| Compound ID |
CP0211569
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-(3-amino-1,2-benzoxazol-4-yl)phenyl]-1-(3-fluoro-4-methylphenyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
376.391
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2cccc3onc(N)c23)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17FN4O2/c1-12-5-8-15(11-17(12)22)25-21(27)24-14-9-6-13(7-10-14)16-3-2-4-18-19(16)20(23)26-28-18/h2-11H,1H3,(H2,23,26)(H2,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZLIFFWATVLSAPF-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