General Information of the Compound
| Compound ID |
CP0754813
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(4-(((1r,3r,5R,7S)-Adamantan-2-ylidene)(4-hydroxyphenyl)-methyl)phenyl)-N-(2-(dimethylamino)ethyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H36N2O2
|
||||||||||||||||||
| Molecular Weight |
456.63
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCNC(=O)/C=C/c1ccc(C(=C2C3CC4CC(C3)CC2C4)c2ccc(O)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H36N2O2/c1-32(2)14-13-31-28(34)12-5-20-3-6-23(7-4-20)29(24-8-10-27(33)11-9-24)30-25-16-21-15-22(18-25)19-26(30)17-21/h3-12,21-22,25-26,33H,13-19H2,1-2H3,(H,31,34)/b12-5+,30-29?
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWSQUSLBBQBSKE-JVRLFDCWSA-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