General Information of the Compound
| Compound ID |
CP0563588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[2-(tert-butylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-4-(4-methylphenyl)-4-oxo-N-propan-2-ylbut-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N2O4
|
||||||||||||||||||
| Molecular Weight |
450.579
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(N(C(C)C)C(=O)\C=C\C(=O)c1ccc(C)cc1)C(=O)NC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N2O4/c1-18(2)29(24(31)17-16-23(30)20-10-8-19(3)9-11-20)25(26(32)28-27(4,5)6)21-12-14-22(33-7)15-13-21/h8-18,25H,1-7H3,(H,28,32)/b17-16+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTNSHHDKLYQCRG-WUKNDPDISA-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