General Information of the Compound
| Compound ID |
CP0566088
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-4-(4-cyanoanilino)-2-[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy]-N-(3-hydroxypropyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N5O3
|
||||||||||||||||||
| Molecular Weight |
481.556
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(\C=C\C#N)cc(C)c1Oc1cc(Nc2ccc(cc2)C#N)c(N)cc1C(=O)NCCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O3/c1-18-13-21(5-3-10-29)14-19(2)27(18)36-26-16-25(33-22-8-6-20(17-30)7-9-22)24(31)15-23(26)28(35)32-11-4-12-34/h3,5-9,13-16,33-34H,4,11-12,31H2,1-2H3,(H,32,35)/b5-3+
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZUHDQBIGOBSRMK-HWKANZROSA-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