General Information of the Compound
| Compound ID |
CP0559752
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[6-[methyl(2-phenylethyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H25NOS
|
||||||||||||||||||
| Molecular Weight |
315.482
|
||||||||||||||||||
| Canonical SMILES |
CN(CCc1ccccc1)C1CCc2cc(CO)sc2CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H25NOS/c1-20(12-11-15-5-3-2-4-6-15)17-8-7-16-13-18(14-21)22-19(16)10-9-17/h2-6,13,17,21H,7-12,14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXEOTKSBFLAVBI-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