General Information of the Compound
| Compound ID |
CP0375112
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(Naphthalene-2-sulfonyl)-1-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-1,2,3,4-tetrahydro-isoquinolin-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32N2O4S
|
||||||||||||||||||
| Molecular Weight |
528.674
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)S(=O)(=O)c1ccc2ccccc2c1)c1ccc(OCCN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32N2O4S/c34-27-10-14-30-26(21-27)15-18-33(38(35,36)29-13-9-23-5-1-2-6-25(23)22-29)31(30)24-7-11-28(12-8-24)37-20-19-32-16-3-4-17-32/h1-2,5-14,21-22,31,34H,3-4,15-20H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFWJMJCDPFQUJT-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