General Information of the Compound
| Compound ID |
CP0557200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]-N-[5-[[(E)-3-[4-[cyclohexylidene-(4-hydroxyphenyl)methyl]phenyl]prop-2-enoyl]amino]pentyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Formula |
C49H54N2O4
|
||||||||||||||||||
| Molecular Weight |
734.981
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(cc1)C(=C1CCCCC1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C2CCCCC2)c2ccc(O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C49H54N2O4/c52-44-28-24-42(25-29-44)48(38-10-4-1-5-11-38)40-20-14-36(15-21-40)18-32-46(54)50-34-8-3-9-35-51-47(55)33-19-37-16-22-41(23-17-37)49(39-12-6-2-7-13-39)43-26-30-45(53)31-27-43/h14-33,52-53H,1-13,34-35H2,(H,50,54)(H,51,55)/b32-18+,33-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTJCNTBQDKLXEA-XYHIKERESA-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 | |||||||||||||||||||
| 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