General Information of the Compound
| Compound ID |
CP0558009
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-2-cyclobutyl-1-[4-(1,3-thiazol-5-yl)phenyl]ethenyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H23ClFNO2S
|
||||||||||||||||||
| Molecular Weight |
516.037
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)\C=C\c1ccc(cc1)C(=C(\C1CCC1)c1ccc(F)cc1Cl)\c1ccc(cc1)-c1cncs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H23ClFNO2S/c31-26-16-24(32)13-14-25(26)30(21-2-1-3-21)29(22-7-4-19(5-8-22)6-15-28(34)35)23-11-9-20(10-12-23)27-17-33-18-36-27/h4-18,21H,1-3H2,(H,34,35)/b15-6+,30-29+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMYNYRJYFUCNJA-RYSIYLRZSA-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