General Information of the Compound
| Compound ID |
CP0532452
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-cyanophenyl)-2-cyclobutyl-1-(4-morpholin-4-ylphenyl)ethenyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H29ClN2O3
|
||||||||||||||||||
| Molecular Weight |
525.048
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)N1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H29ClN2O3/c33-29-20-23(21-34)6-14-28(29)32(24-2-1-3-24)31(25-8-4-22(5-9-25)7-15-30(36)37)26-10-12-27(13-11-26)35-16-18-38-19-17-35/h4-15,20,24H,1-3,16-19H2,(H,36,37)/b15-7+,32-31+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PLSGPOIMAFASLM-WINBVBSWSA-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