General Information of the Compound
| Compound ID |
CP0429956
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-Butyl-1-(2-hydroxy-5-methylbenzyl)-3-phenylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24N2O2
|
||||||||||||||||||
| Molecular Weight |
312.413
|
||||||||||||||||||
| Canonical SMILES |
CCCCN(Cc1cccc(C)c1O)C(=O)Nc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24N2O2/c1-3-4-13-21(14-16-10-8-9-15(2)18(16)22)19(23)20-17-11-6-5-7-12-17/h5-12,22H,3-4,13-14H2,1-2H3,(H,20,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEBGIRYMJKQKHD-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2