General Information of the Compound
| Compound ID |
CP0266777
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-4-(4-methylphenyl)-4-oxo-N-propylbut-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H36N2O3
|
||||||||||||||||||
| Molecular Weight |
460.618
|
||||||||||||||||||
| Canonical SMILES |
CCCN(C(C(=O)NC1CCCCC1)c1ccc(C)cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H36N2O3/c1-4-20-31(27(33)19-18-26(32)23-14-10-21(2)11-15-23)28(24-16-12-22(3)13-17-24)29(34)30-25-8-6-5-7-9-25/h10-19,25,28H,4-9,20H2,1-3H3,(H,30,34)/b19-18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
WSLBLIIKNTWBOH-VHEBQXMUSA-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