General Information of the Compound
| Compound ID |
CP0898503
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1-hydroxynaphthalen-4-yl)-2-phenylethylamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClNO
|
||||||||||||||||||
| Molecular Weight |
299.801
|
||||||||||||||||||
| Canonical SMILES |
Cl.NCC(c1ccccc1)c1ccc(O)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17NO.ClH/c19-12-17(13-6-2-1-3-7-13)15-10-11-18(20)16-9-5-4-8-14(15)16;/h1-11,17,20H,12,19H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
ALKVUXCRWMJADM-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: PT03501, Trace amine-associated receptor 1
Protein ID: PT03226, Trace amine-associated receptor 1