General Information of the Compound
| Compound ID |
CP0138144
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2-hydroxyethylamino)methyl]-1-(2-methylphenoxy)-1,3-dihydroinden-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23NO3
|
||||||||||||||||||
| Molecular Weight |
313.397
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23NO3/c1-14-6-2-5-9-17(14)23-18-16-8-4-3-7-15(16)12-19(18,22)13-20-10-11-21/h2-9,18,20-22H,10-13H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WGJPAKIMPPHUPQ-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: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter