General Information of the Compound
| Compound ID |
CP0576336
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-cyanophenyl)-2-cyclobutyl-1-[4-(1H-pyrazol-4-yl)phenyl]ethenyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
506.005
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(cc1Cl)C#N)\c1ccc(cc1)-c1cn[nH]c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H24ClN3O2/c32-28-16-21(17-33)6-14-27(28)31(23-2-1-3-23)30(24-8-4-20(5-9-24)7-15-29(36)37)25-12-10-22(11-13-25)26-18-34-35-19-26/h4-16,18-19,23H,1-3H2,(H,34,35)(H,36,37)/b15-7+,31-30+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLSYDWKULISRMP-WJJQQQQUSA-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