General Information of the Compound
| Compound ID |
CP0569411
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(1S,3S)-7-chloro-1-(3,5-dichlorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14Cl3NO
|
||||||||||||||||||
| Molecular Weight |
342.653
|
||||||||||||||||||
| Canonical SMILES |
OC[C@@H]1Cc2ccc(Cl)cc2[C@@H](N1)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14Cl3NO/c17-11-2-1-9-5-14(8-21)20-16(15(9)7-11)10-3-12(18)6-13(19)4-10/h1-4,6-7,14,16,20-21H,5,8H2/t14-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HWDYWVRNXBUCEH-HOCLYGCPSA-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
Protein ID: PT05546, Transient receptor potential cation channel subfamily M member 4
Protein ID: PT06248, Transient receptor potential cation channel subfamily M member 5