General Information of the Compound
| Compound ID |
CP0303349
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-1-(3-(phenylethynyl)benzyl)-3-propylurea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O
|
||||||||||||||||||
| Molecular Weight |
382.507
|
||||||||||||||||||
| Canonical SMILES |
CCCNC(=O)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O/c1-2-18-27-26(29)28(20-24-12-7-4-8-13-24)21-25-15-9-14-23(19-25)17-16-22-10-5-3-6-11-22/h3-15,19H,2,18,20-21H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GSHPNJJYVFUOIK-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