General Information of the Compound
| Compound ID |
CP0853822
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-Methyl-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-4-(3-methyl-4-hydroxylphenyl)selenophene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27NO2Se
|
||||||||||||||||||
| Molecular Weight |
440.445
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(-c2c[se]cc2-c2ccc(OCCN3CCCC3)c(C)c2)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27NO2Se/c1-17-13-19(5-7-23(17)26)21-15-28-16-22(21)20-6-8-24(18(2)14-20)27-12-11-25-9-3-4-10-25/h5-8,13-16,26H,3-4,9-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
USHJFJVENNMIHM-UHFFFAOYSA-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta