General Information of the Compound
| Compound ID |
CP0492135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-benzyl-3-(cyclopropylmethyl)-1-(3-(phenylethynyl)benzyl)urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H26N2O
|
||||||||||||||||||
| Molecular Weight |
394.518
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H26N2O/c30-27(28-19-24-16-17-24)29(20-25-10-5-2-6-11-25)21-26-13-7-12-23(18-26)15-14-22-8-3-1-4-9-22/h1-13,18,24H,16-17,19-21H2,(H,28,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIVBZRFPFQIIBD-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