General Information of the Compound
| Compound ID |
CP0446682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(N''''-Cyclohexyl-N'',N''-dipropyl-guanidino)-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38Cl2N4O
|
||||||||||||||||||
| Molecular Weight |
517.545
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38Cl2N4O/c1-3-18-34(19-4-2)28(32-24-8-6-5-7-9-24)33-25-14-11-22(12-15-25)27(35)31-17-16-21-10-13-23(29)20-26(21)30/h10-15,20,24H,3-9,16-19H2,1-2H3,(H,31,35)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JVEDQEAAHLSYLV-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