General Information of the Compound
| Compound ID |
CP0398353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4R)-N,N-dimethyl-4-(3-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21ClN2O2
|
||||||||||||||||||
| Molecular Weight |
332.831
|
||||||||||||||||||
| Canonical SMILES |
Cl.CN(C)[C@H]1C[C@H](c2cccc(c2)[N+]([O-])=O)c2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H20N2O2.ClH/c1-19(2)16-11-13-6-3-4-9-17(13)18(12-16)14-7-5-8-15(10-14)20(21)22;/h3-10,16,18H,11-12H2,1-2H3;1H/t16-,18-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CTWRZGZBPQHOAG-PHJLCXHGSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01194, Histamine H3 receptor