General Information of the Compound
| Compound ID |
CP0835416
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-((E/Z)-1-(4-Hydroxyphenyl)-2-phenylbut-1-enyl)phenyl)-N-(4-(3-(5-methoxy-1H-benzo(d)imidazol-2-yl)-propanamido)butyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H42N4O4
|
||||||||||||||||||
| Molecular Weight |
642.8
|
||||||||||||||||||
| Canonical SMILES |
CCC(=C(c1ccc(O)cc1)c1ccc(/C=C/C(=O)NCCCCNC(=O)CCc2nc3cc(OC)ccc3[nH]2)cc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H42N4O4/c1-3-34(29-9-5-4-6-10-29)40(31-16-18-32(45)19-17-31)30-14-11-28(12-15-30)13-23-38(46)41-25-7-8-26-42-39(47)24-22-37-43-35-21-20-33(48-2)27-36(35)44-37/h4-6,9-21,23,27,45H,3,7-8,22,24-26H2,1-2H3,(H,41,46)(H,42,47)(H,43,44)/b23-13+,40-34?
Show/Hide
|
||||||||||||||||||
| InChIKey |
IARNTHMXUOQDQU-XVJUZEHKSA-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 | |||||||||||||||||||
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