General Information of the Compound
| Compound ID |
CP0422639
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-1-[(3R,4R)-4-(2-methylphenoxy)-3,4-dihydro-2H-chromen-3-yl]methanamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO2
|
||||||||||||||||||
| Molecular Weight |
297.398
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C[C@@H]1COc2ccccc2[C@@H]1Oc1ccccc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO2/c1-14-8-4-6-10-17(14)22-19-15(12-20(2)3)13-21-18-11-7-5-9-16(18)19/h4-11,15,19H,12-13H2,1-3H3/t15-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DIEUHEQWLCVFKO-DNVCBOLYSA-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter