General Information of the Compound
| Compound ID |
CP0436667
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(N-Cyclohexyl-2,6-dimethyl-morpholine-4-carboximidoyl)-amino]-N-[2-(2,4-dichloro-phenyl)-ethyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
531.528
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CC(C)O1)C(Nc1ccc(cc1)C(=O)NCCc1ccc(Cl)cc1Cl)=NC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36Cl2N4O2/c1-19-17-34(18-20(2)36-19)28(32-24-6-4-3-5-7-24)33-25-12-9-22(10-13-25)27(35)31-15-14-21-8-11-23(29)16-26(21)30/h8-13,16,19-20,24H,3-7,14-15,17-18H2,1-2H3,(H,31,35)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVHFQTIKKSZUSE-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