General Information of the Compound
| Compound ID |
CP0404707
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(N-Cyclohexyl-3-oxo-piperazine-1-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H31Cl2N5O2
|
||||||||||||||||||
| Molecular Weight |
516.473
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(CCNC(=O)c2ccc(NC(=NC3CCCCC3)N3CCNC(=O)C3)cc2)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31Cl2N5O2/c27-20-9-6-18(23(28)16-20)12-13-30-25(35)19-7-10-22(11-8-19)32-26(31-21-4-2-1-3-5-21)33-15-14-29-24(34)17-33/h6-11,16,21H,1-5,12-15,17H2,(H,29,34)(H,30,35)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HNBBDTOVUVDAFG-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