General Information of the Compound
| Compound ID |
CP0550519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[(E)-2-[2-chloro-4-(trifluoromethyl)phenyl]-1-(1H-indol-2-yl)but-1-enyl]phenyl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H21ClF3NO2
|
||||||||||||||||||
| Molecular Weight |
495.928
|
||||||||||||||||||
| Canonical SMILES |
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(cc1Cl)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H21ClF3NO2/c1-2-21(22-13-12-20(16-23(22)29)28(30,31)32)27(25-15-19-5-3-4-6-24(19)33-25)18-10-7-17(8-11-18)9-14-26(34)35/h3-16,33H,2H2,1H3,(H,34,35)/b14-9+,27-21+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVRSTTKJPOUOQH-USYAYNFISA-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